REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2i4l_1_B DATA FIRST_RESID -2 DATA SEQUENCE GSHMRLSRFF LPILKENPKE AEIVSHRLML RAGMLRQEAA GIYAWLPLGH DATA SEQUENCE RVLKKIEQIV REEQNRAGAI ELLMPTLQLA DLWRESGRYD AYGPEMLRIA DATA SEQUENCE DRHKRELLYG PTNEEMITEI FRAYIKSYKS LPLNLYHIQW KFRDEQRPRF DATA SEQUENCE GVMRGREFLM KDAYSFDVDE AGARKSYNKM FVAYLRTFAR MGLKAIPMRA DATA SEQUENCE ETGPIGGDLS HEFIVLAETG ESGVYIDRDV LNLPVPDENV DYDGDLTPII DATA SEQUENCE KQWTSVYAAT EDVHEPARYE SEVPEANRLN TRGIEVGQIF YFGTKYSDSM DATA SEQUENCE KANVTGPDGT DAPIHGGSYG VGVSRLLGAI IEACHDDNGI IWPEAVAPFR DATA SEQUENCE VTILNLKQGD AATDAACDQL YRELSAKGVD VLYDDTDQRA GAKFATADLI DATA SEQUENCE GIPWQIHVGP RGLAEGKVEL KRRSDGAREN LALADVVARL T VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -2 G C 0.000 174.971 174.900 0.119 0.000 0.946 -2 G CA 0.000 45.139 45.100 0.064 0.000 0.502 -1 S N 1.891 117.621 115.700 0.050 0.000 2.711 -1 S HA 0.183 4.653 4.470 -0.000 0.000 0.320 -1 S C 0.465 175.157 174.600 0.153 0.000 1.240 -1 S CA 0.597 58.802 58.200 0.008 0.000 1.034 -1 S CB -0.119 63.052 63.200 -0.047 0.000 0.741 -1 S HN 0.931 nan 8.310 nan 0.000 0.496 0 H N 2.210 121.387 119.070 0.180 0.000 2.996 0 H HA 0.733 5.289 4.556 -0.000 0.000 0.368 0 H C -1.097 174.408 175.328 0.295 0.000 1.185 0 H CA -1.212 54.970 56.048 0.223 0.000 1.160 0 H CB 1.130 30.864 29.762 -0.047 0.000 1.820 0 H HN 0.555 nan 8.280 nan 0.000 0.547 1 M N 1.988 121.824 119.600 0.394 0.000 2.413 1 M HA 0.390 4.870 4.480 -0.000 0.000 0.287 1 M C -1.703 174.561 176.300 -0.059 0.000 1.186 1 M CA -0.214 55.140 55.300 0.090 0.000 0.927 1 M CB 2.587 35.004 32.600 -0.305 0.000 1.715 1 M HN 0.727 nan 8.290 nan 0.000 0.478 2 R N 3.532 123.972 120.500 -0.100 0.000 2.312 2 R HA 0.464 4.804 4.340 -0.000 0.000 0.311 2 R C 0.895 177.097 176.300 -0.164 0.000 1.004 2 R CA -0.601 55.342 56.100 -0.262 0.000 0.902 2 R CB 1.041 31.180 30.300 -0.270 0.000 1.073 2 R HN 0.845 nan 8.270 nan 0.000 0.457 3 L N 1.721 122.824 121.223 -0.200 0.000 2.079 3 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 3 L C 2.140 179.021 176.870 0.018 0.000 1.081 3 L CA 1.966 56.780 54.840 -0.042 0.000 0.752 3 L CB -0.231 41.784 42.059 -0.074 0.000 0.896 3 L HN 0.800 nan 8.230 nan 0.000 0.433 4 S N -0.651 115.002 115.700 -0.078 0.000 2.419 4 S HA -0.197 4.272 4.470 -0.000 0.000 0.233 4 S C 1.783 176.406 174.600 0.038 0.000 1.016 4 S CA 0.765 58.943 58.200 -0.037 0.000 0.974 4 S CB -0.311 62.831 63.200 -0.096 0.000 0.786 4 S HN 0.474 nan 8.310 nan 0.000 0.492 5 R N -0.792 119.749 120.500 0.069 0.000 2.393 5 R HA 0.396 4.735 4.340 -0.000 0.000 0.244 5 R C -0.474 175.988 176.300 0.270 0.000 0.920 5 R CA -0.258 55.921 56.100 0.133 0.000 1.076 5 R CB 0.121 30.486 30.300 0.110 0.000 1.119 5 R HN 0.390 nan 8.270 nan 0.000 0.524 6 F N -0.117 119.881 119.950 0.079 0.000 2.611 6 F HA 0.428 4.955 4.527 -0.000 0.000 0.374 6 F C -0.899 175.029 175.800 0.213 0.000 1.110 6 F CA -2.237 55.846 58.000 0.139 0.000 1.090 6 F CB 1.110 40.172 39.000 0.104 0.000 1.388 6 F HN -0.219 nan 8.300 nan 0.000 0.501 7 F N 3.933 123.608 119.950 -0.458 0.000 2.577 7 F HA 0.585 5.111 4.527 -0.000 0.000 0.344 7 F C -1.949 173.580 175.800 -0.451 0.000 1.145 7 F CA -0.966 56.832 58.000 -0.336 0.000 0.996 7 F CB 1.096 39.944 39.000 -0.254 0.000 1.248 7 F HN 0.186 nan 8.300 nan 0.000 0.447 8 L N 9.553 130.415 121.223 -0.602 0.000 2.492 8 L HA 0.542 4.882 4.340 -0.000 0.000 0.259 8 L C -2.638 174.010 176.870 -0.369 0.000 1.229 8 L CA -1.424 53.169 54.840 -0.411 0.000 0.903 8 L CB 1.059 43.096 42.059 -0.037 0.000 1.114 8 L HN 0.328 nan 8.230 nan 0.000 0.494 9 P HA 0.237 nan 4.420 nan 0.000 0.266 9 P C -0.308 176.895 177.300 -0.161 0.000 1.586 9 P CA -0.267 62.634 63.100 -0.331 0.000 1.088 9 P CB 0.299 31.764 31.700 -0.391 0.000 1.584 10 I N 4.158 124.669 120.570 -0.099 0.000 2.556 10 I HA 0.108 4.278 4.170 -0.000 0.000 0.284 10 I C 0.987 177.078 176.117 -0.043 0.000 1.114 10 I CA -0.355 60.915 61.300 -0.049 0.000 1.418 10 I CB 0.178 38.165 38.000 -0.022 0.000 1.394 10 I HN 0.197 nan 8.210 nan 0.000 0.552 11 L N 6.903 128.106 121.223 -0.033 0.000 2.289 11 L HA 0.294 4.634 4.340 -0.000 0.000 0.285 11 L C 1.138 177.994 176.870 -0.023 0.000 1.049 11 L CA -0.781 54.041 54.840 -0.030 0.000 0.804 11 L CB 0.910 42.948 42.059 -0.034 0.000 1.195 11 L HN 0.501 nan 8.230 nan 0.000 0.428 12 K N 0.773 121.161 120.400 -0.021 0.000 2.057 12 K HA -0.023 4.296 4.320 -0.000 0.000 0.206 12 K C 0.230 176.820 176.600 -0.016 0.000 1.050 12 K CA 1.030 57.307 56.287 -0.016 0.000 0.935 12 K CB 0.069 32.560 32.500 -0.015 0.000 0.715 12 K HN 0.490 nan 8.250 nan 0.000 0.439 13 E N 1.093 121.281 120.200 -0.021 0.000 2.235 13 E HA 0.213 4.563 4.350 -0.000 0.000 0.265 13 E C -0.765 175.816 176.600 -0.031 0.000 0.940 13 E CA -0.834 55.553 56.400 -0.022 0.000 0.819 13 E CB 0.815 30.502 29.700 -0.021 0.000 1.206 13 E HN 0.052 nan 8.360 nan 0.000 0.409 14 N N 2.476 121.156 118.700 -0.033 0.000 2.468 14 N HA 0.151 4.890 4.740 -0.000 0.000 0.265 14 N C -2.314 173.164 175.510 -0.054 0.000 1.199 14 N CA -0.832 52.190 53.050 -0.046 0.000 0.928 14 N CB -0.147 38.315 38.487 -0.043 0.000 1.059 14 N HN 0.074 nan 8.380 nan 0.000 0.467 15 P HA 0.175 nan 4.420 nan 0.000 0.276 15 P C 0.369 177.621 177.300 -0.081 0.000 1.243 15 P CA -0.206 62.845 63.100 -0.082 0.000 0.768 15 P CB 0.821 32.450 31.700 -0.119 0.000 0.856 16 K N 2.086 122.453 120.400 -0.055 0.000 2.362 16 K HA -0.127 4.193 4.320 -0.000 0.000 0.200 16 K C 1.652 178.228 176.600 -0.040 0.000 1.046 16 K CA 0.865 57.128 56.287 -0.040 0.000 0.952 16 K CB 0.118 32.602 32.500 -0.027 0.000 0.753 16 K HN 0.573 nan 8.250 nan 0.000 0.466 17 E N 0.739 120.907 120.200 -0.053 0.000 2.427 17 E HA -0.061 4.289 4.350 -0.000 0.000 0.196 17 E C 0.003 176.576 176.600 -0.046 0.000 1.028 17 E CA 0.352 56.732 56.400 -0.034 0.000 0.864 17 E CB 0.072 29.765 29.700 -0.013 0.000 0.813 17 E HN 0.104 nan 8.360 nan 0.000 0.514 18 A N 1.508 124.235 122.820 -0.155 0.000 2.276 18 A HA 0.238 4.558 4.320 -0.000 0.000 0.300 18 A C 0.482 178.070 177.584 0.006 0.000 1.235 18 A CA -0.508 51.410 52.037 -0.198 0.000 0.867 18 A CB 0.496 19.250 19.000 -0.409 0.000 1.137 18 A HN 0.164 nan 8.150 nan 0.000 0.527 19 E N 1.734 122.026 120.200 0.153 0.000 2.415 19 E HA 0.137 4.486 4.350 -0.000 0.000 0.197 19 E C 0.396 177.093 176.600 0.161 0.000 1.007 19 E CA 0.419 56.917 56.400 0.164 0.000 0.890 19 E CB 0.162 30.011 29.700 0.249 0.000 0.891 19 E HN 0.860 nan 8.360 nan 0.000 0.496 20 I N -3.906 116.767 120.570 0.171 0.000 2.934 20 I HA 0.269 4.439 4.170 -0.000 0.000 0.306 20 I C 1.125 177.242 176.117 0.001 0.000 1.110 20 I CA -0.909 60.431 61.300 0.066 0.000 1.019 20 I CB 1.688 39.700 38.000 0.020 0.000 1.227 20 I HN -0.357 nan 8.210 nan 0.000 0.434 21 V N 2.450 122.305 119.914 -0.099 0.000 2.287 21 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 21 V C 2.676 178.663 176.094 -0.179 0.000 1.053 21 V CA 2.781 64.957 62.300 -0.207 0.000 1.027 21 V CB -1.150 30.393 31.823 -0.467 0.000 0.646 21 V HN 1.025 nan 8.190 nan 0.000 0.447 22 S N -0.724 114.896 115.700 -0.134 0.000 2.368 22 S HA -0.322 4.148 4.470 -0.000 0.000 0.225 22 S C 1.990 176.610 174.600 0.033 0.000 1.030 22 S CA 1.980 60.140 58.200 -0.066 0.000 0.999 22 S CB -0.877 62.302 63.200 -0.035 0.000 0.844 22 S HN 0.809 nan 8.310 nan 0.000 0.459 23 H N 1.477 120.515 119.070 -0.055 0.000 2.333 23 H HA 0.061 4.617 4.556 -0.000 0.000 0.302 23 H C 2.689 177.993 175.328 -0.041 0.000 1.075 23 H CA 1.104 57.127 56.048 -0.040 0.000 1.348 23 H CB -0.072 29.697 29.762 0.012 0.000 1.393 23 H HN 0.347 nan 8.280 nan 0.000 0.509 24 R N 0.500 120.955 120.500 -0.075 0.000 2.080 24 R HA -0.139 4.201 4.340 -0.000 0.000 0.236 24 R C 2.521 178.768 176.300 -0.088 0.000 1.137 24 R CA 1.683 57.704 56.100 -0.132 0.000 0.943 24 R CB -0.164 30.077 30.300 -0.099 0.000 0.846 24 R HN 0.350 nan 8.270 nan 0.000 0.431 25 L N -0.100 121.081 121.223 -0.070 0.000 2.109 25 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 25 L C 2.618 179.487 176.870 -0.002 0.000 1.086 25 L CA 1.057 55.866 54.840 -0.051 0.000 0.760 25 L CB -0.287 41.717 42.059 -0.092 0.000 0.910 25 L HN 0.301 nan 8.230 nan 0.000 0.437 26 M N -0.450 119.165 119.600 0.025 0.000 2.159 26 M HA -0.207 4.273 4.480 -0.000 0.000 0.263 26 M C 2.250 178.572 176.300 0.037 0.000 1.063 26 M CA 1.739 57.081 55.300 0.070 0.000 1.110 26 M CB -0.303 32.342 32.600 0.075 0.000 1.374 26 M HN 0.237 nan 8.290 nan 0.000 0.411 27 L N -0.718 120.503 121.223 -0.003 0.000 2.005 27 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 27 L C 2.673 179.528 176.870 -0.025 0.000 1.072 27 L CA 1.286 56.110 54.840 -0.026 0.000 0.744 27 L CB -0.655 41.354 42.059 -0.083 0.000 0.895 27 L HN 0.243 nan 8.230 nan 0.000 0.433 28 R N 0.179 120.661 120.500 -0.029 0.000 2.081 28 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 28 R C 1.990 178.290 176.300 0.000 0.000 1.131 28 R CA 1.402 57.489 56.100 -0.022 0.000 0.960 28 R CB -0.413 29.872 30.300 -0.026 0.000 0.856 28 R HN 0.324 nan 8.270 nan 0.000 0.436 29 A N 0.259 123.096 122.820 0.029 0.000 2.276 29 A HA 0.213 4.532 4.320 -0.000 0.000 0.212 29 A C 1.106 178.733 177.584 0.072 0.000 1.230 29 A CA 0.614 52.694 52.037 0.071 0.000 0.844 29 A CB -0.223 18.853 19.000 0.125 0.000 0.860 29 A HN 0.464 nan 8.150 nan 0.000 0.486 30 G N -0.982 107.828 108.800 0.017 0.000 2.273 30 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.280 30 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.280 30 G C 0.539 175.449 174.900 0.018 0.000 1.047 30 G CA 0.807 45.886 45.100 -0.034 0.000 0.869 30 G HN 0.464 nan 8.290 nan 0.000 0.502 31 M N -1.815 117.834 119.600 0.082 0.000 2.461 31 M HA 0.483 4.962 4.480 -0.000 0.000 0.255 31 M C 0.527 176.892 176.300 0.109 0.000 1.137 31 M CA 0.473 55.866 55.300 0.155 0.000 1.086 31 M CB 0.672 33.413 32.600 0.235 0.000 1.356 31 M HN 0.251 nan 8.290 nan 0.000 0.487 32 L N -0.348 120.888 121.223 0.022 0.000 2.466 32 L HA 0.545 4.885 4.340 -0.000 0.000 0.258 32 L C -1.226 175.639 176.870 -0.008 0.000 0.973 32 L CA -0.379 54.415 54.840 -0.076 0.000 0.826 32 L CB 2.150 44.097 42.059 -0.186 0.000 1.372 32 L HN 0.002 nan 8.230 nan 0.000 0.409 33 R N 2.745 123.252 120.500 0.013 0.000 2.538 33 R HA 0.419 4.758 4.340 -0.000 0.000 0.292 33 R C -1.309 175.058 176.300 0.112 0.000 1.008 33 R CA -0.587 55.551 56.100 0.063 0.000 0.896 33 R CB 1.724 32.049 30.300 0.042 0.000 1.187 33 R HN 0.788 nan 8.270 nan 0.000 0.440 34 Q N 2.847 122.719 119.800 0.119 0.000 2.297 34 Q HA 0.030 4.370 4.340 -0.000 0.000 0.267 34 Q C -0.128 175.794 176.000 -0.130 0.000 1.006 34 Q CA 0.144 55.901 55.803 -0.075 0.000 0.896 34 Q CB 1.088 29.805 28.738 -0.036 0.000 1.186 34 Q HN 0.609 nan 8.270 nan 0.000 0.392 35 E N 2.088 122.158 120.200 -0.218 0.000 2.290 35 E HA 0.239 4.589 4.350 -0.000 0.000 0.197 35 E C -0.417 176.099 176.600 -0.140 0.000 0.948 35 E CA 0.593 56.909 56.400 -0.141 0.000 0.895 35 E CB 0.995 30.628 29.700 -0.112 0.000 0.865 35 E HN 0.626 nan 8.360 nan 0.000 0.486 36 A N 0.339 123.038 122.820 -0.201 0.000 2.588 36 A HA 0.712 5.032 4.320 -0.000 0.000 0.290 36 A C -1.124 176.336 177.584 -0.206 0.000 1.136 36 A CA -0.206 51.744 52.037 -0.145 0.000 0.681 36 A CB 0.765 19.716 19.000 -0.082 0.000 1.282 36 A HN 0.027 nan 8.150 nan 0.000 0.421 37 A N -0.416 122.327 122.820 -0.128 0.000 2.548 37 A HA 0.476 4.796 4.320 -0.000 0.000 0.247 37 A C 1.603 179.095 177.584 -0.154 0.000 1.067 37 A CA 1.166 53.127 52.037 -0.126 0.000 0.757 37 A CB -1.116 17.845 19.000 -0.064 0.000 0.996 37 A HN 2.814 nan 8.150 nan 0.000 0.504 38 G N 1.458 110.137 108.800 -0.201 0.000 2.166 38 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 38 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 38 G C 0.028 174.808 174.900 -0.201 0.000 0.986 38 G CA 0.755 45.794 45.100 -0.103 0.000 0.683 38 G HN 0.972 nan 8.290 nan 0.000 0.527 39 I N -0.289 119.958 120.570 -0.539 0.000 2.447 39 I HA 0.547 4.716 4.170 -0.000 0.000 0.287 39 I C -0.614 175.119 176.117 -0.640 0.000 1.023 39 I CA -1.151 59.941 61.300 -0.347 0.000 1.083 39 I CB 1.509 39.445 38.000 -0.107 0.000 1.245 39 I HN -0.002 nan 8.210 nan 0.000 0.434 40 Y N 3.847 124.097 120.300 -0.084 0.000 2.499 40 Y HA 0.751 5.300 4.550 -0.000 0.000 0.347 40 Y C 0.286 176.025 175.900 -0.269 0.000 0.987 40 Y CA -0.941 57.017 58.100 -0.235 0.000 1.044 40 Y CB 2.024 40.204 38.460 -0.466 0.000 1.245 40 Y HN 0.562 nan 8.280 nan 0.000 0.461 41 A N 1.333 124.092 122.820 -0.101 0.000 2.306 41 A HA 0.626 4.946 4.320 -0.000 0.000 0.314 41 A C -1.824 175.662 177.584 -0.164 0.000 1.164 41 A CA -0.592 51.412 52.037 -0.056 0.000 0.822 41 A CB 0.294 19.299 19.000 0.009 0.000 1.130 41 A HN 0.779 nan 8.150 nan 0.000 0.496 42 W N 3.045 124.420 121.300 0.124 0.000 2.283 42 W HA 0.522 5.182 4.660 -0.000 0.000 0.317 42 W C -0.257 176.347 176.519 0.142 0.000 1.042 42 W CA -0.307 57.141 57.345 0.171 0.000 1.348 42 W CB 0.659 30.269 29.460 0.250 0.000 1.216 42 W HN 0.461 nan 8.180 nan 0.000 0.404 43 L N 5.502 126.883 121.223 0.264 0.000 2.464 43 L HA 0.173 4.513 4.340 -0.000 0.000 0.264 43 L C -0.986 176.029 176.870 0.242 0.000 1.199 43 L CA -1.651 53.320 54.840 0.219 0.000 0.818 43 L CB 0.300 42.431 42.059 0.120 0.000 1.102 43 L HN 0.147 nan 8.230 nan 0.000 0.473 44 P HA -0.236 nan 4.420 nan 0.000 0.217 44 P C 1.622 179.112 177.300 0.317 0.000 1.158 44 P CA 1.188 64.400 63.100 0.188 0.000 0.887 44 P CB 0.163 31.780 31.700 -0.138 0.000 0.792 45 L N -0.816 120.575 121.223 0.280 0.000 2.046 45 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 45 L C 2.316 179.342 176.870 0.260 0.000 1.077 45 L CA 2.301 57.361 54.840 0.368 0.000 0.747 45 L CB -1.446 40.837 42.059 0.375 0.000 0.896 45 L HN -0.040 nan 8.230 nan 0.000 0.432 46 G N -2.351 106.629 108.800 0.301 0.000 2.394 46 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.215 46 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.215 46 G C 1.649 176.777 174.900 0.379 0.000 1.165 46 G CA 0.736 46.062 45.100 0.377 0.000 0.784 46 G HN 0.566 nan 8.290 nan 0.000 0.535 47 H N 0.872 120.118 119.070 0.293 0.000 2.387 47 H HA -0.003 4.553 4.556 -0.000 0.000 0.299 47 H C 2.833 178.183 175.328 0.036 0.000 1.090 47 H CA 1.258 57.407 56.048 0.168 0.000 1.332 47 H CB 0.170 30.047 29.762 0.191 0.000 1.386 47 H HN 0.261 nan 8.280 nan 0.000 0.516 48 R N -0.182 120.314 120.500 -0.007 0.000 2.091 48 R HA -0.116 4.224 4.340 -0.000 0.000 0.238 48 R C 2.587 178.728 176.300 -0.264 0.000 1.136 48 R CA 1.497 57.497 56.100 -0.166 0.000 0.959 48 R CB -0.167 30.038 30.300 -0.158 0.000 0.856 48 R HN 0.144 nan 8.270 nan 0.000 0.437 49 V N 1.180 120.942 119.914 -0.253 0.000 2.307 49 V HA -0.214 3.905 4.120 -0.000 0.000 0.245 49 V C 2.202 178.133 176.094 -0.273 0.000 1.045 49 V CA 1.447 63.529 62.300 -0.364 0.000 1.024 49 V CB -0.494 31.006 31.823 -0.538 0.000 0.651 49 V HN 0.226 nan 8.190 nan 0.000 0.449 50 L N 0.217 121.304 121.223 -0.227 0.000 2.021 50 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 50 L C 2.509 179.188 176.870 -0.318 0.000 1.074 50 L CA 2.052 56.711 54.840 -0.302 0.000 0.760 50 L CB -0.633 41.157 42.059 -0.448 0.000 0.889 50 L HN 0.165 nan 8.230 nan 0.000 0.433 51 K N -0.351 119.823 120.400 -0.377 0.000 2.097 51 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 51 K C 2.086 178.551 176.600 -0.226 0.000 1.050 51 K CA 1.090 57.189 56.287 -0.313 0.000 0.938 51 K CB -0.292 31.997 32.500 -0.351 0.000 0.718 51 K HN 0.392 nan 8.250 nan 0.000 0.442 52 K N 0.870 121.133 120.400 -0.229 0.000 2.032 52 K HA -0.080 4.240 4.320 -0.000 0.000 0.209 52 K C 2.340 178.843 176.600 -0.161 0.000 1.048 52 K CA 1.046 57.221 56.287 -0.188 0.000 0.927 52 K CB -0.417 31.957 32.500 -0.210 0.000 0.712 52 K HN 0.152 nan 8.250 nan 0.000 0.441 53 I N 1.200 121.668 120.570 -0.170 0.000 2.127 53 I HA -0.301 3.868 4.170 -0.000 0.000 0.241 53 I C 2.701 178.727 176.117 -0.152 0.000 1.075 53 I CA 1.365 62.581 61.300 -0.139 0.000 1.334 53 I CB -0.366 37.562 38.000 -0.120 0.000 1.040 53 I HN 0.311 nan 8.210 nan 0.000 0.405 54 E N 0.627 120.724 120.200 -0.172 0.000 2.086 54 E HA -0.376 3.974 4.350 -0.000 0.000 0.200 54 E C 2.161 178.686 176.600 -0.126 0.000 1.012 54 E CA 2.069 58.374 56.400 -0.159 0.000 0.812 54 E CB -0.062 29.536 29.700 -0.171 0.000 0.743 54 E HN 0.349 nan 8.360 nan 0.000 0.453 55 Q N 0.574 120.303 119.800 -0.119 0.000 2.119 55 Q HA -0.085 4.255 4.340 -0.000 0.000 0.201 55 Q C 1.991 177.932 176.000 -0.097 0.000 0.972 55 Q CA 1.427 57.175 55.803 -0.092 0.000 0.847 55 Q CB -0.187 28.499 28.738 -0.087 0.000 0.903 55 Q HN 0.459 nan 8.270 nan 0.000 0.433 56 I N -0.747 119.754 120.570 -0.116 0.000 2.179 56 I HA -0.260 3.909 4.170 -0.000 0.000 0.242 56 I C 2.015 178.027 176.117 -0.176 0.000 1.088 56 I CA 0.897 62.120 61.300 -0.128 0.000 1.357 56 I CB -0.332 37.593 38.000 -0.126 0.000 1.051 56 I HN 0.055 nan 8.210 nan 0.000 0.409 57 V N 1.017 120.808 119.914 -0.205 0.000 2.287 57 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 57 V C 2.650 178.601 176.094 -0.238 0.000 1.053 57 V CA 2.286 64.424 62.300 -0.271 0.000 1.027 57 V CB -0.865 30.799 31.823 -0.264 0.000 0.646 57 V HN 0.451 nan 8.190 nan 0.000 0.447 58 R N 0.228 120.648 120.500 -0.134 0.000 2.080 58 R HA -0.225 4.114 4.340 -0.000 0.000 0.236 58 R C 2.298 178.554 176.300 -0.073 0.000 1.137 58 R CA 2.223 58.299 56.100 -0.040 0.000 0.943 58 R CB -0.353 29.974 30.300 0.046 0.000 0.846 58 R HN 0.615 nan 8.270 nan 0.000 0.431 59 E N -0.245 119.906 120.200 -0.082 0.000 2.130 59 E HA -0.205 4.144 4.350 -0.000 0.000 0.196 59 E C 1.946 178.479 176.600 -0.111 0.000 0.998 59 E CA 1.396 57.751 56.400 -0.076 0.000 0.806 59 E CB 0.054 29.714 29.700 -0.068 0.000 0.738 59 E HN 0.401 nan 8.360 nan 0.000 0.459 60 E N 0.280 120.380 120.200 -0.166 0.000 2.158 60 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 60 E C 2.099 178.536 176.600 -0.272 0.000 0.982 60 E CA 0.528 56.812 56.400 -0.192 0.000 0.823 60 E CB -0.034 29.538 29.700 -0.214 0.000 0.766 60 E HN 0.254 nan 8.360 nan 0.000 0.468 61 Q N 0.883 120.477 119.800 -0.344 0.000 2.050 61 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 61 Q C 1.830 177.656 176.000 -0.290 0.000 0.980 61 Q CA 0.996 56.524 55.803 -0.459 0.000 0.840 61 Q CB -0.446 27.712 28.738 -0.966 0.000 0.898 61 Q HN 0.238 nan 8.270 nan 0.000 0.424 62 N N 0.622 119.235 118.700 -0.146 0.000 2.120 62 N HA -0.139 4.600 4.740 -0.000 0.000 0.188 62 N C 1.696 177.134 175.510 -0.120 0.000 1.024 62 N CA 0.895 53.918 53.050 -0.045 0.000 0.852 62 N CB -0.350 38.146 38.487 0.014 0.000 1.003 62 N HN 0.229 nan 8.380 nan 0.000 0.424 63 R N 0.674 121.079 120.500 -0.159 0.000 2.096 63 R HA 0.027 4.367 4.340 -0.000 0.000 0.235 63 R C 1.441 177.483 176.300 -0.430 0.000 1.127 63 R CA 1.282 57.289 56.100 -0.156 0.000 0.968 63 R CB -0.135 30.135 30.300 -0.051 0.000 0.861 63 R HN 0.175 nan 8.270 nan 0.000 0.440 64 A N -0.575 121.798 122.820 -0.746 0.000 2.235 64 A HA 0.190 4.509 4.320 -0.000 0.000 0.208 64 A C 1.254 178.506 177.584 -0.554 0.000 1.172 64 A CA 0.817 52.116 52.037 -1.230 0.000 0.786 64 A CB -0.125 18.261 19.000 -1.023 0.000 0.804 64 A HN 0.587 nan 8.150 nan 0.000 0.479 65 G N -2.256 106.368 108.800 -0.293 0.000 2.157 65 G HA2 0.099 4.059 3.960 -0.000 0.000 0.239 65 G HA3 0.099 4.059 3.960 -0.000 0.000 0.239 65 G C 0.424 175.296 174.900 -0.047 0.000 0.982 65 G CA 0.246 45.272 45.100 -0.123 0.000 0.650 65 G HN 1.545 nan 8.290 nan 0.000 0.527 66 A N -0.378 122.413 122.820 -0.049 0.000 2.351 66 A HA 0.780 5.100 4.320 -0.000 0.000 0.257 66 A C 0.180 177.918 177.584 0.256 0.000 1.087 66 A CA 0.066 52.169 52.037 0.109 0.000 0.798 66 A CB 0.474 19.512 19.000 0.063 0.000 1.033 66 A HN 0.849 nan 8.150 nan 0.000 0.488 67 I N 0.897 121.631 120.570 0.274 0.000 2.418 67 I HA 0.251 4.421 4.170 -0.000 0.000 0.287 67 I C 0.191 176.234 176.117 -0.124 0.000 1.008 67 I CA -0.144 61.218 61.300 0.104 0.000 1.104 67 I CB 1.776 39.810 38.000 0.057 0.000 1.264 67 I HN 0.810 nan 8.210 nan 0.000 0.438 68 E N 6.622 126.599 120.200 -0.372 0.000 2.313 68 E HA 0.479 4.828 4.350 -0.000 0.000 0.276 68 E C -1.156 175.246 176.600 -0.330 0.000 1.031 68 E CA -0.516 55.416 56.400 -0.779 0.000 0.857 68 E CB 0.894 30.147 29.700 -0.744 0.000 1.040 68 E HN 0.475 nan 8.360 nan 0.000 0.408 69 L N 2.051 123.122 121.223 -0.254 0.000 2.161 69 L HA 0.718 5.058 4.340 -0.000 0.000 0.248 69 L C -1.543 175.319 176.870 -0.014 0.000 1.088 69 L CA -1.247 53.533 54.840 -0.099 0.000 0.987 69 L CB 0.272 42.296 42.059 -0.058 0.000 1.563 69 L HN 0.453 nan 8.230 nan 0.000 0.472 70 L N 0.416 121.663 121.223 0.040 0.000 2.476 70 L HA 0.691 5.030 4.340 -0.000 0.000 0.269 70 L C -1.131 175.830 176.870 0.151 0.000 0.965 70 L CA -0.235 54.696 54.840 0.151 0.000 0.845 70 L CB 1.798 43.916 42.059 0.098 0.000 1.259 70 L HN 0.682 nan 8.230 nan 0.000 0.403 71 M N 6.395 126.166 119.600 0.285 0.000 2.342 71 M HA 0.526 5.006 4.480 -0.000 0.000 0.332 71 M C -2.138 174.274 176.300 0.187 0.000 1.166 71 M CA -1.642 53.749 55.300 0.153 0.000 1.086 71 M CB 1.360 33.962 32.600 0.004 0.000 1.541 71 M HN 0.427 nan 8.290 nan 0.000 0.462 72 P HA 0.086 nan 4.420 nan 0.000 0.274 72 P C 0.225 177.546 177.300 0.036 0.000 1.237 72 P CA -0.160 62.971 63.100 0.052 0.000 0.793 72 P CB 0.362 32.071 31.700 0.015 0.000 0.977 73 T N -1.161 113.356 114.554 -0.062 0.000 2.904 73 T HA 0.033 4.383 4.350 -0.000 0.000 0.267 73 T C 0.968 175.476 174.700 -0.320 0.000 1.059 73 T CA 0.653 62.619 62.100 -0.223 0.000 1.137 73 T CB -0.477 68.089 68.868 -0.503 0.000 0.879 73 T HN 0.225 nan 8.240 nan 0.000 0.467 74 L N 1.840 122.925 121.223 -0.231 0.000 2.289 74 L HA 0.508 4.847 4.340 -0.000 0.000 0.285 74 L C -0.068 176.775 176.870 -0.045 0.000 1.049 74 L CA -0.743 53.998 54.840 -0.165 0.000 0.804 74 L CB 1.376 43.343 42.059 -0.154 0.000 1.195 74 L HN 0.236 nan 8.230 nan 0.000 0.428 75 Q N 2.988 122.784 119.800 -0.008 0.000 2.433 75 Q HA 0.579 4.919 4.340 -0.000 0.000 0.279 75 Q C -1.142 174.886 176.000 0.046 0.000 1.105 75 Q CA -0.992 54.856 55.803 0.075 0.000 0.815 75 Q CB 3.164 32.042 28.738 0.233 0.000 1.403 75 Q HN 0.497 nan 8.270 nan 0.000 0.435 76 L N 1.266 122.537 121.223 0.079 0.000 2.331 76 L HA 0.224 4.563 4.340 -0.000 0.000 0.278 76 L C 1.160 178.056 176.870 0.043 0.000 1.106 76 L CA -0.112 54.747 54.840 0.032 0.000 0.824 76 L CB 0.894 42.967 42.059 0.022 0.000 1.142 76 L HN 0.930 nan 8.230 nan 0.000 0.443 77 A N 1.974 124.719 122.820 -0.125 0.000 1.978 77 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 77 A C 1.675 179.082 177.584 -0.295 0.000 1.170 77 A CA 1.664 53.449 52.037 -0.420 0.000 0.636 77 A CB -0.333 18.164 19.000 -0.837 0.000 0.810 77 A HN 0.852 nan 8.150 nan 0.000 0.448 78 D N -0.670 119.638 120.400 -0.153 0.000 2.218 78 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 78 D C 1.737 178.040 176.300 0.004 0.000 0.976 78 D CA 0.904 54.857 54.000 -0.079 0.000 0.853 78 D CB -0.271 40.496 40.800 -0.054 0.000 0.939 78 D HN 0.373 nan 8.370 nan 0.000 0.481 79 L N -0.623 120.640 121.223 0.067 0.000 2.046 79 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 79 L C 1.679 178.578 176.870 0.048 0.000 1.077 79 L CA 1.510 56.388 54.840 0.063 0.000 0.747 79 L CB -0.598 41.515 42.059 0.089 0.000 0.896 79 L HN 0.056 nan 8.230 nan 0.000 0.432 80 W N -0.071 121.219 121.300 -0.016 0.000 2.519 80 W HA -0.006 4.654 4.660 -0.000 0.000 0.266 80 W C 2.578 179.156 176.519 0.098 0.000 1.253 80 W CA 0.687 58.077 57.345 0.075 0.000 1.274 80 W CB -0.330 29.234 29.460 0.173 0.000 1.114 80 W HN 0.056 nan 8.180 nan 0.000 0.596 81 R N 0.257 120.874 120.500 0.195 0.000 2.148 81 R HA -0.086 4.254 4.340 -0.000 0.000 0.223 81 R C 1.797 178.146 176.300 0.082 0.000 1.088 81 R CA 1.157 57.337 56.100 0.133 0.000 0.985 81 R CB -0.341 29.985 30.300 0.043 0.000 0.880 81 R HN 0.315 nan 8.270 nan 0.000 0.451 82 E N 0.596 120.823 120.200 0.045 0.000 2.058 82 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 82 E C 1.986 178.592 176.600 0.011 0.000 0.997 82 E CA 1.923 58.333 56.400 0.017 0.000 0.801 82 E CB -0.059 29.638 29.700 -0.004 0.000 0.746 82 E HN 0.338 nan 8.360 nan 0.000 0.450 83 S N -1.064 114.640 115.700 0.006 0.000 2.496 83 S HA 0.119 4.589 4.470 -0.000 0.000 0.224 83 S C 1.678 176.278 174.600 -0.001 0.000 0.996 83 S CA 0.620 58.808 58.200 -0.021 0.000 0.927 83 S CB 0.578 63.774 63.200 -0.007 0.000 0.774 83 S HN 0.424 nan 8.310 nan 0.000 0.524 84 G N 1.740 110.585 108.800 0.075 0.000 2.176 84 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.253 84 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.253 84 G C 0.942 175.951 174.900 0.183 0.000 0.979 84 G CA 0.269 45.435 45.100 0.110 0.000 0.641 84 G HN 0.497 nan 8.290 nan 0.000 0.530 85 R N -1.034 119.617 120.500 0.251 0.000 2.275 85 R HA 0.114 4.454 4.340 -0.000 0.000 0.199 85 R C 1.959 178.592 176.300 0.555 0.000 0.989 85 R CA 0.795 57.134 56.100 0.398 0.000 1.016 85 R CB -0.206 30.364 30.300 0.449 0.000 0.918 85 R HN 0.513 nan 8.270 nan 0.000 0.473 86 Y N 2.162 122.701 120.300 0.398 0.000 2.114 86 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 86 Y C 1.502 177.520 175.900 0.196 0.000 1.165 86 Y CA 1.697 59.980 58.100 0.306 0.000 1.148 86 Y CB 0.008 38.606 38.460 0.231 0.000 0.972 86 Y HN -0.031 nan 8.280 nan 0.000 0.504 87 D N -1.035 119.437 120.400 0.119 0.000 2.350 87 D HA 0.153 4.793 4.640 -0.000 0.000 0.213 87 D C 1.771 178.101 176.300 0.050 0.000 1.031 87 D CA 0.839 54.835 54.000 -0.006 0.000 0.861 87 D CB 0.154 40.989 40.800 0.059 0.000 0.926 87 D HN 0.442 nan 8.370 nan 0.000 0.520 88 A N -0.308 122.588 122.820 0.128 0.000 2.095 88 A HA -0.051 4.269 4.320 -0.000 0.000 0.212 88 A C 1.870 179.528 177.584 0.124 0.000 1.162 88 A CA 0.119 52.222 52.037 0.111 0.000 0.753 88 A CB -0.403 18.668 19.000 0.118 0.000 0.840 88 A HN 0.144 nan 8.150 nan 0.000 0.468 89 Y N 0.655 121.007 120.300 0.085 0.000 2.128 89 Y HA 0.188 4.738 4.550 -0.000 0.000 0.284 89 Y C 1.429 177.354 175.900 0.040 0.000 1.154 89 Y CA 1.518 59.679 58.100 0.102 0.000 1.149 89 Y CB -0.194 38.349 38.460 0.137 0.000 0.976 89 Y HN 0.606 nan 8.280 nan 0.000 0.505 90 G N -1.671 107.199 108.800 0.117 0.000 2.498 90 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.651 90 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.651 90 G C -2.237 172.712 174.900 0.081 0.000 1.284 90 G CA -0.462 44.661 45.100 0.038 0.000 0.950 90 G HN 0.038 nan 8.290 nan 0.000 0.511 91 P HA 0.147 nan 4.420 nan 0.000 0.241 91 P C 1.078 178.435 177.300 0.094 0.000 1.191 91 P CA 0.946 64.075 63.100 0.049 0.000 0.771 91 P CB 0.157 31.873 31.700 0.026 0.000 0.929 92 E N -0.691 119.591 120.200 0.136 0.000 2.347 92 E HA -0.030 4.320 4.350 -0.000 0.000 0.196 92 E C 0.924 177.682 176.600 0.263 0.000 1.008 92 E CA 0.121 56.636 56.400 0.192 0.000 0.852 92 E CB -0.159 29.657 29.700 0.193 0.000 0.783 92 E HN 0.305 nan 8.360 nan 0.000 0.505 93 M N 1.968 121.711 119.600 0.238 0.000 2.188 93 M HA 0.065 4.545 4.480 -0.000 0.000 0.354 93 M C -0.685 175.648 176.300 0.055 0.000 1.342 93 M CA -0.266 55.074 55.300 0.066 0.000 1.117 93 M CB 0.493 33.031 32.600 -0.104 0.000 1.670 93 M HN -0.042 nan 8.290 nan 0.000 0.466 94 L N 7.285 128.557 121.223 0.082 0.000 2.302 94 L HA 0.352 4.692 4.340 -0.000 0.000 0.285 94 L C -0.406 176.447 176.870 -0.027 0.000 1.090 94 L CA 0.270 55.125 54.840 0.024 0.000 0.866 94 L CB 0.112 42.111 42.059 -0.100 0.000 1.244 94 L HN 0.653 nan 8.230 nan 0.000 0.435 95 R N 5.338 125.821 120.500 -0.028 0.000 2.490 95 R HA 0.647 4.987 4.340 -0.000 0.000 0.278 95 R C -0.880 175.414 176.300 -0.011 0.000 1.069 95 R CA -0.338 55.758 56.100 -0.007 0.000 1.080 95 R CB 1.086 31.395 30.300 0.015 0.000 1.030 95 R HN 0.575 nan 8.270 nan 0.000 0.491 96 I N 0.945 121.514 120.570 -0.001 0.000 2.607 96 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 96 I C -0.746 175.368 176.117 -0.004 0.000 1.129 96 I CA -0.883 60.408 61.300 -0.015 0.000 1.042 96 I CB 2.305 40.288 38.000 -0.028 0.000 1.242 96 I HN 0.624 nan 8.210 nan 0.000 0.421 97 A N 4.158 126.973 122.820 -0.008 0.000 2.304 97 A HA 0.656 4.976 4.320 -0.000 0.000 0.323 97 A C -0.637 176.935 177.584 -0.020 0.000 1.195 97 A CA -0.583 51.450 52.037 -0.006 0.000 0.826 97 A CB 0.658 19.658 19.000 -0.001 0.000 1.184 97 A HN 0.763 nan 8.150 nan 0.000 0.496 98 D N 1.224 121.615 120.400 -0.015 0.000 2.478 98 D HA 0.123 4.763 4.640 -0.000 0.000 0.269 98 D C 1.261 177.517 176.300 -0.074 0.000 1.232 98 D CA -0.471 53.508 54.000 -0.035 0.000 1.059 98 D CB 0.336 41.131 40.800 -0.009 0.000 1.104 98 D HN 0.545 nan 8.370 nan 0.000 0.566 99 R N -1.086 119.316 120.500 -0.163 0.000 2.237 99 R HA -0.098 4.242 4.340 -0.000 0.000 0.219 99 R C 0.694 176.796 176.300 -0.329 0.000 1.080 99 R CA 0.940 56.879 56.100 -0.268 0.000 0.995 99 R CB -0.600 29.478 30.300 -0.369 0.000 0.875 99 R HN 0.463 nan 8.270 nan 0.000 0.462 100 H N 1.398 120.461 119.070 -0.012 0.000 2.517 100 H HA 0.238 4.794 4.556 -0.000 0.000 0.282 100 H C 0.018 175.341 175.328 -0.009 0.000 1.023 100 H CA 0.141 56.183 56.048 -0.010 0.000 1.169 100 H CB 0.385 30.141 29.762 -0.011 0.000 1.454 100 H HN 0.225 nan 8.280 nan 0.000 0.556 101 K N 0.476 120.904 120.400 0.046 0.000 3.274 101 K HA -0.189 4.131 4.320 -0.000 0.000 0.300 101 K C 0.066 176.687 176.600 0.035 0.000 1.230 101 K CA 0.466 56.771 56.287 0.031 0.000 0.884 101 K CB -0.882 31.635 32.500 0.029 0.000 1.242 101 K HN 0.314 nan 8.250 nan 0.000 0.467 102 R N 1.728 122.258 120.500 0.050 0.000 2.543 102 R HA 0.114 4.454 4.340 -0.000 0.000 0.277 102 R C -0.057 176.249 176.300 0.010 0.000 1.074 102 R CA 0.113 56.231 56.100 0.029 0.000 1.076 102 R CB 0.351 30.675 30.300 0.040 0.000 0.993 102 R HN 0.212 nan 8.270 nan 0.000 0.459 103 E N 3.038 123.232 120.200 -0.009 0.000 2.130 103 E HA 0.253 4.603 4.350 -0.000 0.000 0.284 103 E C -0.390 176.188 176.600 -0.036 0.000 1.018 103 E CA -0.178 56.213 56.400 -0.016 0.000 0.817 103 E CB 1.001 30.678 29.700 -0.039 0.000 1.078 103 E HN 0.254 nan 8.360 nan 0.000 0.396 104 L N 3.051 124.264 121.223 -0.017 0.000 2.235 104 L HA 0.666 5.006 4.340 -0.000 0.000 0.260 104 L C -0.760 176.093 176.870 -0.028 0.000 1.025 104 L CA -1.255 53.568 54.840 -0.030 0.000 0.836 104 L CB 1.115 43.156 42.059 -0.030 0.000 1.395 104 L HN 0.449 nan 8.230 nan 0.000 0.443 105 L N -2.019 119.167 121.223 -0.061 0.000 2.582 105 L HA 0.492 4.832 4.340 -0.000 0.000 0.257 105 L C -1.364 175.479 176.870 -0.045 0.000 0.974 105 L CA -0.696 54.097 54.840 -0.078 0.000 0.851 105 L CB 1.553 43.483 42.059 -0.216 0.000 1.424 105 L HN 0.361 nan 8.230 nan 0.000 0.412 106 Y N 1.192 121.426 120.300 -0.109 0.000 2.436 106 Y HA 0.558 5.108 4.550 -0.000 0.000 0.343 106 Y C 1.122 177.009 175.900 -0.022 0.000 1.008 106 Y CA -0.227 57.845 58.100 -0.046 0.000 1.241 106 Y CB 1.277 39.700 38.460 -0.062 0.000 1.153 106 Y HN 0.943 nan 8.280 nan 0.000 0.521 107 G N 7.742 116.685 108.800 0.239 0.000 2.254 107 G HA2 0.094 4.053 3.960 -0.000 0.000 0.253 107 G HA3 0.094 4.053 3.960 -0.000 0.000 0.253 107 G C -2.029 173.036 174.900 0.274 0.000 1.246 107 G CA -1.023 44.207 45.100 0.217 0.000 0.946 107 G HN 0.629 nan 8.290 nan 0.000 0.474 108 P HA 0.102 nan 4.420 nan 0.000 0.235 108 P C 0.611 178.113 177.300 0.335 0.000 1.177 108 P CA 0.659 63.898 63.100 0.232 0.000 0.785 108 P CB 0.871 32.631 31.700 0.101 0.000 0.885 109 T N -1.472 113.300 114.554 0.363 0.000 2.686 109 T HA 0.332 4.682 4.350 -0.000 0.000 0.308 109 T C -1.290 173.616 174.700 0.343 0.000 1.667 109 T CA -0.491 61.844 62.100 0.392 0.000 0.987 109 T CB 0.012 69.120 68.868 0.400 0.000 1.652 109 T HN -0.254 nan 8.240 nan 0.000 0.496 110 N N 0.339 119.162 118.700 0.205 0.000 2.307 110 N HA 0.253 4.993 4.740 -0.000 0.000 0.248 110 N C 0.592 175.735 175.510 -0.612 0.000 1.322 110 N CA -0.213 52.782 53.050 -0.093 0.000 0.861 110 N CB 0.840 39.313 38.487 -0.023 0.000 1.303 110 N HN 0.486 nan 8.380 nan 0.000 0.498 111 E N 0.896 120.684 120.200 -0.686 0.000 2.070 111 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 111 E C 1.219 177.240 176.600 -0.964 0.000 1.004 111 E CA 1.420 57.165 56.400 -1.092 0.000 0.805 111 E CB 0.088 28.792 29.700 -1.659 0.000 0.744 111 E HN 0.352 nan 8.360 nan 0.000 0.451 112 E N -0.118 119.579 120.200 -0.839 0.000 2.072 112 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 112 E C 1.963 178.355 176.600 -0.346 0.000 0.985 112 E CA 1.099 57.166 56.400 -0.555 0.000 0.801 112 E CB -0.145 29.132 29.700 -0.705 0.000 0.750 112 E HN 0.248 nan 8.360 nan 0.000 0.452 113 M N -0.151 119.257 119.600 -0.320 0.000 2.132 113 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 113 M C 1.942 178.156 176.300 -0.143 0.000 1.065 113 M CA 1.132 56.334 55.300 -0.163 0.000 1.122 113 M CB 0.082 32.631 32.600 -0.084 0.000 1.365 113 M HN 0.175 nan 8.290 nan 0.000 0.411 114 I N 0.223 120.645 120.570 -0.247 0.000 2.315 114 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 114 I C 1.913 178.106 176.117 0.127 0.000 1.117 114 I CA 1.652 62.891 61.300 -0.102 0.000 1.404 114 I CB -0.445 37.394 38.000 -0.269 0.000 1.071 114 I HN 0.286 nan 8.210 nan 0.000 0.419 115 T N 0.377 114.967 114.554 0.059 0.000 2.867 115 T HA -0.161 4.188 4.350 -0.000 0.000 0.268 115 T C 1.849 176.639 174.700 0.151 0.000 1.057 115 T CA 1.356 63.579 62.100 0.205 0.000 1.136 115 T CB -0.225 68.692 68.868 0.082 0.000 0.874 115 T HN 0.402 nan 8.240 nan 0.000 0.466 116 E N 1.102 121.323 120.200 0.035 0.000 2.106 116 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 116 E C 2.148 178.742 176.600 -0.010 0.000 0.984 116 E CA 0.841 57.242 56.400 0.001 0.000 0.806 116 E CB -0.226 29.452 29.700 -0.036 0.000 0.750 116 E HN 0.503 nan 8.360 nan 0.000 0.458 117 I N 0.335 120.923 120.570 0.030 0.000 2.202 117 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 117 I C 2.438 178.599 176.117 0.072 0.000 1.091 117 I CA 0.975 62.314 61.300 0.065 0.000 1.368 117 I CB -0.384 37.686 38.000 0.116 0.000 1.058 117 I HN 0.075 nan 8.210 nan 0.000 0.410 118 F N 2.619 122.510 119.950 -0.098 0.000 2.069 118 F HA -0.292 4.235 4.527 -0.000 0.000 0.298 118 F C 2.830 178.542 175.800 -0.146 0.000 1.113 118 F CA 2.008 59.873 58.000 -0.226 0.000 1.214 118 F CB -0.286 38.361 39.000 -0.589 0.000 0.978 118 F HN -0.043 nan 8.300 nan 0.000 0.474 119 R N 0.737 121.281 120.500 0.074 0.000 2.193 119 R HA -0.006 4.333 4.340 -0.000 0.000 0.229 119 R C 2.006 178.176 176.300 -0.216 0.000 1.110 119 R CA 1.118 57.209 56.100 -0.014 0.000 0.988 119 R CB -1.028 29.331 30.300 0.098 0.000 0.871 119 R HN 0.311 nan 8.270 nan 0.000 0.458 120 A N 0.212 122.808 122.820 -0.373 0.000 2.014 120 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 120 A C 0.906 178.076 177.584 -0.690 0.000 1.163 120 A CA 0.750 52.404 52.037 -0.638 0.000 0.652 120 A CB -0.238 18.144 19.000 -1.030 0.000 0.808 120 A HN 0.509 nan 8.150 nan 0.000 0.449 121 Y N -1.663 118.497 120.300 -0.232 0.000 2.585 121 Y HA 0.383 4.933 4.550 -0.000 0.000 0.272 121 Y C 0.367 176.073 175.900 -0.323 0.000 1.119 121 Y CA -1.111 56.845 58.100 -0.240 0.000 1.255 121 Y CB 0.576 38.902 38.460 -0.224 0.000 1.284 121 Y HN -0.014 nan 8.280 nan 0.000 0.499 122 I N 1.541 121.857 120.570 -0.423 0.000 2.354 122 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 122 I C 0.276 176.162 176.117 -0.384 0.000 0.989 122 I CA -0.404 60.569 61.300 -0.545 0.000 1.188 122 I CB 1.827 39.156 38.000 -1.119 0.000 1.342 122 I HN 0.087 nan 8.210 nan 0.000 0.457 123 K N 2.309 122.608 120.400 -0.168 0.000 2.558 123 K HA 0.153 4.473 4.320 -0.000 0.000 0.215 123 K C 0.206 176.825 176.600 0.032 0.000 1.298 123 K CA 0.107 56.365 56.287 -0.047 0.000 1.008 123 K CB 1.029 33.505 32.500 -0.039 0.000 1.073 123 K HN 0.521 nan 8.250 nan 0.000 0.606 124 S N 0.358 116.069 115.700 0.019 0.000 2.482 124 S HA 0.244 4.713 4.470 -0.000 0.000 0.303 124 S C 0.991 175.647 174.600 0.094 0.000 1.091 124 S CA -0.701 57.538 58.200 0.065 0.000 1.057 124 S CB 0.638 63.817 63.200 -0.035 0.000 1.031 124 S HN 0.304 nan 8.310 nan 0.000 0.485 125 Y N 3.753 124.103 120.300 0.084 0.000 2.365 125 Y HA -0.017 4.533 4.550 -0.000 0.000 0.287 125 Y C 1.539 177.488 175.900 0.082 0.000 1.162 125 Y CA 1.418 59.578 58.100 0.099 0.000 1.260 125 Y CB -0.351 38.158 38.460 0.082 0.000 0.976 125 Y HN 0.620 nan 8.280 nan 0.000 0.548 126 K N 0.359 120.310 120.400 -0.749 0.000 2.283 126 K HA -0.049 4.271 4.320 -0.000 0.000 0.202 126 K C 1.883 178.352 176.600 -0.217 0.000 1.048 126 K CA 1.127 57.048 56.287 -0.610 0.000 0.948 126 K CB -0.120 32.044 32.500 -0.560 0.000 0.742 126 K HN 0.258 nan 8.250 nan 0.000 0.458 127 S N 0.716 116.349 115.700 -0.112 0.000 2.607 127 S HA 0.087 4.556 4.470 -0.000 0.000 0.224 127 S C 0.432 175.070 174.600 0.062 0.000 0.969 127 S CA 0.432 58.616 58.200 -0.027 0.000 0.927 127 S CB -0.034 63.144 63.200 -0.036 0.000 0.772 127 S HN 0.139 nan 8.310 nan 0.000 0.533 128 L N 2.238 123.515 121.223 0.090 0.000 2.333 128 L HA 0.497 4.837 4.340 -0.000 0.000 0.269 128 L C -2.268 174.678 176.870 0.125 0.000 1.010 128 L CA -2.390 52.550 54.840 0.167 0.000 0.818 128 L CB 0.922 43.127 42.059 0.242 0.000 1.306 128 L HN -0.075 nan 8.230 nan 0.000 0.430 129 P HA 0.266 nan 4.420 nan 0.000 0.271 129 P C -1.228 176.180 177.300 0.180 0.000 1.218 129 P CA -0.367 62.831 63.100 0.165 0.000 0.780 129 P CB 1.717 33.492 31.700 0.125 0.000 0.901 130 L N 2.504 123.886 121.223 0.265 0.000 2.410 130 L HA 0.538 4.878 4.340 -0.000 0.000 0.270 130 L C -1.083 176.018 176.870 0.386 0.000 0.983 130 L CA -0.442 54.571 54.840 0.289 0.000 0.822 130 L CB 1.732 43.982 42.059 0.319 0.000 1.285 130 L HN 0.355 nan 8.230 nan 0.000 0.409 131 N N 5.518 124.394 118.700 0.294 0.000 2.448 131 N HA 0.470 5.210 4.740 -0.000 0.000 0.279 131 N C -1.860 173.849 175.510 0.331 0.000 1.025 131 N CA -0.300 52.938 53.050 0.314 0.000 0.898 131 N CB 1.337 39.914 38.487 0.151 0.000 1.303 131 N HN 0.650 nan 8.380 nan 0.000 0.495 132 L N 4.129 125.614 121.223 0.436 0.000 2.307 132 L HA 0.526 4.866 4.340 -0.000 0.000 0.284 132 L C -0.545 176.582 176.870 0.429 0.000 1.023 132 L CA -1.101 53.956 54.840 0.363 0.000 0.810 132 L CB 1.022 43.285 42.059 0.339 0.000 1.231 132 L HN 0.542 nan 8.230 nan 0.000 0.423 133 Y N 0.923 121.342 120.300 0.198 0.000 2.576 133 Y HA 0.805 5.355 4.550 -0.000 0.000 0.346 133 Y C -0.822 175.226 175.900 0.247 0.000 1.018 133 Y CA -1.052 57.176 58.100 0.213 0.000 1.050 133 Y CB 1.479 40.018 38.460 0.130 0.000 1.280 133 Y HN 0.622 nan 8.280 nan 0.000 0.474 134 H N 1.222 120.426 119.070 0.224 0.000 2.946 134 H HA 0.641 5.197 4.556 -0.000 0.000 0.365 134 H C -1.917 173.512 175.328 0.168 0.000 1.197 134 H CA -2.428 53.665 56.048 0.075 0.000 1.131 134 H CB 1.497 31.289 29.762 0.050 0.000 1.849 134 H HN 0.874 nan 8.280 nan 0.000 0.555 135 I N 1.925 122.494 120.570 -0.002 0.000 2.382 135 I HA 0.350 4.520 4.170 -0.000 0.000 0.285 135 I C -0.611 175.294 176.117 -0.353 0.000 1.007 135 I CA -0.427 60.775 61.300 -0.163 0.000 1.142 135 I CB 1.360 39.309 38.000 -0.085 0.000 1.289 135 I HN 0.415 nan 8.210 nan 0.000 0.453 136 Q N 5.354 124.844 119.800 -0.517 0.000 2.377 136 Q HA 0.396 4.736 4.340 -0.000 0.000 0.279 136 Q C -1.929 173.837 176.000 -0.391 0.000 1.049 136 Q CA -0.578 54.963 55.803 -0.437 0.000 0.825 136 Q CB 1.683 30.090 28.738 -0.552 0.000 1.401 136 Q HN 0.398 nan 8.270 nan 0.000 0.404 137 W N 2.490 123.757 121.300 -0.055 0.000 2.190 137 W HA 0.450 5.110 4.660 -0.000 0.000 0.330 137 W C 0.256 176.792 176.519 0.029 0.000 1.299 137 W CA 0.159 57.501 57.345 -0.005 0.000 1.215 137 W CB 0.707 30.245 29.460 0.130 0.000 1.147 137 W HN 0.393 nan 8.180 nan 0.000 0.563 138 K N 1.873 122.256 120.400 -0.029 0.000 2.444 138 K HA 0.627 4.947 4.320 -0.000 0.000 0.252 138 K C -1.750 174.673 176.600 -0.295 0.000 0.993 138 K CA -1.139 55.021 56.287 -0.212 0.000 0.847 138 K CB 2.152 34.176 32.500 -0.793 0.000 1.340 138 K HN 0.271 nan 8.250 nan 0.000 0.446 139 F N 1.669 121.464 119.950 -0.258 0.000 2.518 139 F HA 0.474 5.001 4.527 -0.000 0.000 0.323 139 F C -0.916 174.957 175.800 0.122 0.000 1.129 139 F CA -0.615 57.249 58.000 -0.226 0.000 0.920 139 F CB 1.237 39.822 39.000 -0.692 0.000 1.160 139 F HN 0.195 nan 8.300 nan 0.000 0.440 140 R N 3.562 123.999 120.500 -0.105 0.000 2.513 140 R HA 0.188 4.528 4.340 -0.000 0.000 0.301 140 R C -1.332 174.814 176.300 -0.257 0.000 0.968 140 R CA -0.826 55.309 56.100 0.058 0.000 0.872 140 R CB 1.678 32.093 30.300 0.193 0.000 1.177 140 R HN 0.555 nan 8.270 nan 0.000 0.444 141 D N 2.346 122.774 120.400 0.047 0.000 2.713 141 D HA -0.004 4.636 4.640 -0.000 0.000 0.229 141 D C -0.122 176.193 176.300 0.025 0.000 1.136 141 D CA -0.257 53.806 54.000 0.104 0.000 1.010 141 D CB 0.007 40.994 40.800 0.311 0.000 1.084 141 D HN 0.331 nan 8.370 nan 0.000 0.495 142 E N 0.867 121.033 120.200 -0.057 0.000 2.820 142 E HA -0.175 4.175 4.350 -0.000 0.000 0.251 142 E C 1.205 177.792 176.600 -0.021 0.000 0.944 142 E CA 0.453 56.827 56.400 -0.043 0.000 0.955 142 E CB 0.555 30.209 29.700 -0.075 0.000 0.904 142 E HN 0.372 nan 8.360 nan 0.000 0.513 143 Q N 4.028 123.821 119.800 -0.011 0.000 2.096 143 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 143 Q C 0.083 176.071 176.000 -0.020 0.000 0.982 143 Q CA 1.438 57.237 55.803 -0.006 0.000 0.850 143 Q CB 0.227 28.961 28.738 -0.007 0.000 0.901 143 Q HN 0.416 nan 8.270 nan 0.000 0.422 144 R N 0.861 121.339 120.500 -0.035 0.000 2.494 144 R HA 0.355 4.694 4.340 -0.000 0.000 0.284 144 R C -2.556 173.698 176.300 -0.077 0.000 1.525 144 R CA -1.876 54.191 56.100 -0.055 0.000 1.460 144 R CB 1.638 31.902 30.300 -0.061 0.000 1.134 144 R HN 0.150 nan 8.270 nan 0.000 0.592 145 P HA 0.025 nan 4.420 nan 0.000 0.266 145 P C -0.703 176.522 177.300 -0.124 0.000 1.195 145 P CA 0.024 63.079 63.100 -0.075 0.000 0.768 145 P CB 0.702 32.369 31.700 -0.055 0.000 0.838 146 R N 2.031 122.437 120.500 -0.158 0.000 2.690 146 R HA 0.409 4.749 4.340 -0.000 0.000 0.269 146 R C -0.859 175.283 176.300 -0.263 0.000 1.037 146 R CA -0.648 55.233 56.100 -0.366 0.000 0.877 146 R CB 0.658 30.545 30.300 -0.688 0.000 1.255 146 R HN 0.277 nan 8.270 nan 0.000 0.467 147 F N 0.675 120.571 119.950 -0.090 0.000 3.074 147 F HA -0.221 4.306 4.527 -0.000 0.000 0.289 147 F C 0.886 176.443 175.800 -0.404 0.000 0.863 147 F CA 1.525 59.434 58.000 -0.153 0.000 1.121 147 F CB -2.117 36.835 39.000 -0.079 0.000 1.169 147 F HN 1.063 nan 8.300 nan 0.000 0.570 148 G N 0.114 108.512 108.800 -0.670 0.000 2.611 148 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.301 148 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.301 148 G C 0.945 175.581 174.900 -0.440 0.000 1.233 148 G CA 1.434 45.997 45.100 -0.894 0.000 0.993 148 G HN 1.651 nan 8.290 nan 0.000 0.553 149 V N -1.150 118.493 119.914 -0.452 0.000 3.026 149 V HA 0.181 4.300 4.120 -0.000 0.000 0.265 149 V C 2.543 178.635 176.094 -0.004 0.000 1.121 149 V CA 2.988 65.189 62.300 -0.165 0.000 1.142 149 V CB -0.461 31.359 31.823 -0.006 0.000 0.730 149 V HN 0.584 nan 8.190 nan 0.000 0.503 150 M N -0.363 119.224 119.600 -0.021 0.000 2.447 150 M HA 0.217 4.696 4.480 -0.000 0.000 0.264 150 M C 1.625 177.944 176.300 0.031 0.000 1.095 150 M CA 0.870 56.178 55.300 0.013 0.000 1.125 150 M CB 0.248 32.851 32.600 0.004 0.000 1.389 150 M HN 0.272 nan 8.290 nan 0.000 0.459 151 R N 0.589 121.120 120.500 0.053 0.000 2.583 151 R HA 0.269 4.609 4.340 -0.000 0.000 0.282 151 R C -0.432 175.871 176.300 0.004 0.000 1.288 151 R CA -0.190 55.926 56.100 0.028 0.000 1.415 151 R CB 0.421 30.786 30.300 0.108 0.000 1.331 151 R HN 0.264 nan 8.270 nan 0.000 0.719 152 G N 0.113 108.933 108.800 0.033 0.000 2.543 152 G HA2 0.266 4.226 3.960 -0.000 0.000 0.267 152 G HA3 0.266 4.226 3.960 -0.000 0.000 0.267 152 G C 0.447 175.339 174.900 -0.013 0.000 1.406 152 G CA -0.367 44.783 45.100 0.084 0.000 1.048 152 G HN 0.267 nan 8.290 nan 0.000 0.548 153 R N -1.084 119.386 120.500 -0.051 0.000 2.167 153 R HA 0.185 4.525 4.340 -0.000 0.000 0.195 153 R C 0.483 176.576 176.300 -0.346 0.000 1.027 153 R CA -0.009 55.857 56.100 -0.390 0.000 1.114 153 R CB 0.275 30.188 30.300 -0.645 0.000 1.075 153 R HN 0.573 nan 8.270 nan 0.000 0.538 154 E N 1.333 121.530 120.200 -0.006 0.000 2.115 154 E HA 0.238 4.588 4.350 -0.000 0.000 0.282 154 E C -1.281 175.672 176.600 0.588 0.000 0.987 154 E CA -0.508 56.030 56.400 0.230 0.000 0.797 154 E CB 0.632 30.480 29.700 0.247 0.000 1.086 154 E HN 0.017 nan 8.360 nan 0.000 0.397 155 F N 2.546 122.781 119.950 0.476 0.000 2.626 155 F HA 0.560 5.087 4.527 -0.000 0.000 0.311 155 F C -2.031 173.843 175.800 0.125 0.000 1.088 155 F CA -1.507 56.741 58.000 0.414 0.000 0.949 155 F CB 0.872 39.988 39.000 0.193 0.000 1.322 155 F HN 0.272 nan 8.300 nan 0.000 0.461 156 L N 3.892 124.960 121.223 -0.258 0.000 2.296 156 L HA 0.700 5.040 4.340 -0.000 0.000 0.286 156 L C -0.957 175.746 176.870 -0.278 0.000 1.023 156 L CA -0.706 53.641 54.840 -0.821 0.000 0.812 156 L CB 1.574 42.799 42.059 -1.391 0.000 1.223 156 L HN 0.935 nan 8.230 nan 0.000 0.421 157 M N 4.734 124.183 119.600 -0.251 0.000 2.457 157 M HA 0.439 4.919 4.480 -0.000 0.000 0.300 157 M C -1.233 175.006 176.300 -0.103 0.000 1.141 157 M CA -0.680 54.592 55.300 -0.047 0.000 0.901 157 M CB 1.511 34.194 32.600 0.137 0.000 1.687 157 M HN 0.449 nan 8.290 nan 0.000 0.449 158 K N 4.121 124.492 120.400 -0.049 0.000 2.285 158 K HA 0.207 4.527 4.320 -0.000 0.000 0.286 158 K C -1.741 174.915 176.600 0.093 0.000 1.072 158 K CA -0.052 56.245 56.287 0.017 0.000 0.913 158 K CB 0.340 32.814 32.500 -0.044 0.000 1.067 158 K HN 0.826 nan 8.250 nan 0.000 0.479 159 D N 3.043 123.564 120.400 0.202 0.000 2.492 159 D HA 0.426 5.066 4.640 -0.000 0.000 0.248 159 D C -0.861 175.477 176.300 0.063 0.000 1.101 159 D CA -0.685 53.388 54.000 0.122 0.000 0.840 159 D CB 1.613 42.529 40.800 0.194 0.000 1.209 159 D HN 0.385 nan 8.370 nan 0.000 0.524 160 A N 2.159 124.891 122.820 -0.147 0.000 2.337 160 A HA 0.721 5.041 4.320 -0.000 0.000 0.331 160 A C -1.581 175.796 177.584 -0.344 0.000 1.137 160 A CA -0.793 51.237 52.037 -0.012 0.000 0.807 160 A CB 1.051 20.143 19.000 0.152 0.000 1.250 160 A HN 0.535 nan 8.150 nan 0.000 0.468 161 Y N 0.537 121.027 120.300 0.317 0.000 2.332 161 Y HA 0.444 4.994 4.550 -0.000 0.000 0.325 161 Y C 0.481 176.431 175.900 0.084 0.000 1.054 161 Y CA -0.516 57.663 58.100 0.133 0.000 1.119 161 Y CB 2.120 40.608 38.460 0.046 0.000 1.168 161 Y HN 0.745 nan 8.280 nan 0.000 0.439 162 S N 2.276 118.060 115.700 0.139 0.000 2.578 162 S HA 0.822 5.292 4.470 -0.000 0.000 0.283 162 S C -1.088 173.319 174.600 -0.323 0.000 1.195 162 S CA -0.553 57.709 58.200 0.103 0.000 1.050 162 S CB 0.834 64.184 63.200 0.249 0.000 1.012 162 S HN 0.381 nan 8.310 nan 0.000 0.511 163 F N 0.676 120.668 119.950 0.070 0.000 2.518 163 F HA 0.561 5.088 4.527 -0.000 0.000 0.323 163 F C 0.244 176.085 175.800 0.069 0.000 1.129 163 F CA -0.656 57.317 58.000 -0.045 0.000 0.920 163 F CB 2.083 40.909 39.000 -0.289 0.000 1.160 163 F HN 0.575 nan 8.300 nan 0.000 0.440 164 D N 1.361 121.900 120.400 0.231 0.000 2.570 164 D HA 0.284 4.924 4.640 -0.000 0.000 0.244 164 D C 0.556 176.995 176.300 0.232 0.000 1.178 164 D CA -0.458 53.672 54.000 0.217 0.000 0.881 164 D CB 3.085 43.980 40.800 0.158 0.000 1.453 164 D HN 0.234 nan 8.370 nan 0.000 0.447 165 V N 0.181 120.211 119.914 0.194 0.000 2.427 165 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 165 V C 0.626 176.785 176.094 0.108 0.000 1.051 165 V CA 1.773 64.183 62.300 0.183 0.000 1.048 165 V CB -0.634 31.282 31.823 0.154 0.000 0.666 165 V HN 0.644 nan 8.190 nan 0.000 0.456 166 D N -2.823 117.534 120.400 -0.072 0.000 2.759 166 D HA 0.121 4.760 4.640 -0.000 0.000 0.321 166 D C 0.788 176.730 176.300 -0.596 0.000 1.267 166 D CA -0.456 53.243 54.000 -0.501 0.000 0.933 166 D CB 0.876 41.518 40.800 -0.263 0.000 1.431 166 D HN -0.045 nan 8.370 nan 0.000 0.504 167 E N -0.370 119.409 120.200 -0.703 0.000 2.077 167 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 167 E C 1.912 178.351 176.600 -0.268 0.000 0.989 167 E CA 1.316 57.505 56.400 -0.352 0.000 0.800 167 E CB -0.236 29.321 29.700 -0.239 0.000 0.746 167 E HN 0.482 nan 8.360 nan 0.000 0.452 168 A N 0.928 123.626 122.820 -0.204 0.000 1.892 168 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 168 A C 2.450 179.981 177.584 -0.089 0.000 1.188 168 A CA 2.061 54.017 52.037 -0.136 0.000 0.631 168 A CB -1.406 17.535 19.000 -0.098 0.000 0.822 168 A HN 0.465 nan 8.150 nan 0.000 0.447 169 G N -0.801 107.964 108.800 -0.058 0.000 2.418 169 G HA2 0.010 3.970 3.960 -0.000 0.000 0.217 169 G HA3 0.010 3.970 3.960 -0.000 0.000 0.217 169 G C 1.724 176.636 174.900 0.019 0.000 1.158 169 G CA 1.475 46.576 45.100 0.002 0.000 0.771 169 G HN 0.869 nan 8.290 nan 0.000 0.545 170 A N 0.508 123.332 122.820 0.007 0.000 1.972 170 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 170 A C 2.299 179.894 177.584 0.019 0.000 1.169 170 A CA 1.758 53.837 52.037 0.070 0.000 0.635 170 A CB -0.414 18.703 19.000 0.194 0.000 0.810 170 A HN 0.374 nan 8.150 nan 0.000 0.446 171 R N -0.014 120.416 120.500 -0.118 0.000 2.096 171 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 171 R C 1.996 178.310 176.300 0.022 0.000 1.127 171 R CA 1.760 57.790 56.100 -0.117 0.000 0.968 171 R CB -0.213 29.965 30.300 -0.204 0.000 0.861 171 R HN 0.524 nan 8.270 nan 0.000 0.440 172 K N -0.290 120.118 120.400 0.014 0.000 2.057 172 K HA -0.060 4.260 4.320 -0.000 0.000 0.207 172 K C 2.195 178.832 176.600 0.061 0.000 1.049 172 K CA 1.772 58.080 56.287 0.036 0.000 0.931 172 K CB -0.056 32.459 32.500 0.026 0.000 0.714 172 K HN 0.069 nan 8.250 nan 0.000 0.440 173 S N 0.481 116.226 115.700 0.074 0.000 2.359 173 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 173 S C 1.740 176.343 174.600 0.006 0.000 1.035 173 S CA 1.245 59.475 58.200 0.049 0.000 1.018 173 S CB -0.398 62.863 63.200 0.102 0.000 0.876 173 S HN 0.333 nan 8.310 nan 0.000 0.448 174 Y N 3.015 123.321 120.300 0.011 0.000 2.128 174 Y HA -0.230 4.319 4.550 -0.000 0.000 0.284 174 Y C 2.130 178.040 175.900 0.017 0.000 1.154 174 Y CA 1.759 59.904 58.100 0.075 0.000 1.149 174 Y CB -0.399 38.158 38.460 0.162 0.000 0.976 174 Y HN 0.199 nan 8.280 nan 0.000 0.505 175 N N 0.494 119.334 118.700 0.232 0.000 2.149 175 N HA -0.178 4.562 4.740 -0.000 0.000 0.188 175 N C 1.614 177.159 175.510 0.058 0.000 1.019 175 N CA 1.727 54.846 53.050 0.114 0.000 0.857 175 N CB -0.322 38.195 38.487 0.050 0.000 0.997 175 N HN 0.431 nan 8.380 nan 0.000 0.426 176 K N 0.019 120.436 120.400 0.028 0.000 2.057 176 K HA -0.011 4.309 4.320 -0.000 0.000 0.207 176 K C 1.949 178.501 176.600 -0.080 0.000 1.049 176 K CA 0.988 57.320 56.287 0.075 0.000 0.931 176 K CB -0.063 32.442 32.500 0.008 0.000 0.714 176 K HN 0.130 nan 8.250 nan 0.000 0.440 177 M N -0.167 119.215 119.600 -0.364 0.000 2.132 177 M HA -0.120 4.359 4.480 -0.000 0.000 0.263 177 M C 2.117 178.089 176.300 -0.546 0.000 1.065 177 M CA 1.389 56.307 55.300 -0.637 0.000 1.122 177 M CB -0.803 31.058 32.600 -1.232 0.000 1.365 177 M HN 0.119 nan 8.290 nan 0.000 0.411 178 F N 1.029 120.687 119.950 -0.487 0.000 2.065 178 F HA -0.268 4.259 4.527 -0.000 0.000 0.298 178 F C 2.259 177.982 175.800 -0.129 0.000 1.112 178 F CA 1.640 59.503 58.000 -0.228 0.000 1.212 178 F CB -0.080 38.847 39.000 -0.123 0.000 0.975 178 F HN -0.153 nan 8.300 nan 0.000 0.476 179 V N 0.398 120.465 119.914 0.256 0.000 2.295 179 V HA -0.336 3.784 4.120 -0.000 0.000 0.246 179 V C 2.678 178.816 176.094 0.074 0.000 1.049 179 V CA 1.752 64.144 62.300 0.153 0.000 1.024 179 V CB -1.542 30.333 31.823 0.086 0.000 0.648 179 V HN 0.511 nan 8.190 nan 0.000 0.447 180 A N -0.908 121.959 122.820 0.077 0.000 1.948 180 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 180 A C 2.113 179.623 177.584 -0.124 0.000 1.177 180 A CA 2.123 54.150 52.037 -0.017 0.000 0.636 180 A CB -0.747 18.170 19.000 -0.139 0.000 0.815 180 A HN 0.560 nan 8.150 nan 0.000 0.449 181 Y N -0.214 119.754 120.300 -0.553 0.000 2.200 181 Y HA -0.055 4.495 4.550 -0.000 0.000 0.290 181 Y C 2.235 177.718 175.900 -0.694 0.000 1.137 181 Y CA 0.641 58.185 58.100 -0.926 0.000 1.163 181 Y CB -0.859 36.706 38.460 -1.493 0.000 0.988 181 Y HN 0.198 nan 8.280 nan 0.000 0.518 182 L N -0.554 120.531 121.223 -0.229 0.000 2.042 182 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 182 L C 2.563 179.356 176.870 -0.129 0.000 1.076 182 L CA 1.540 56.289 54.840 -0.150 0.000 0.749 182 L CB -0.485 41.395 42.059 -0.300 0.000 0.893 182 L HN 0.117 nan 8.230 nan 0.000 0.432 183 R N -0.868 119.550 120.500 -0.137 0.000 2.075 183 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 183 R C 2.300 178.492 176.300 -0.181 0.000 1.126 183 R CA 1.758 57.797 56.100 -0.103 0.000 0.963 183 R CB -0.650 29.618 30.300 -0.053 0.000 0.858 183 R HN 0.348 nan 8.270 nan 0.000 0.435 184 T N 1.058 115.392 114.554 -0.367 0.000 2.652 184 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 184 T C 1.481 175.920 174.700 -0.434 0.000 1.039 184 T CA 1.611 63.388 62.100 -0.539 0.000 1.153 184 T CB -0.264 68.026 68.868 -0.963 0.000 0.863 184 T HN 0.090 nan 8.240 nan 0.000 0.428 185 F N 1.398 121.244 119.950 -0.172 0.000 2.293 185 F HA 0.286 4.813 4.527 -0.000 0.000 0.297 185 F C 2.602 178.377 175.800 -0.042 0.000 1.089 185 F CA -0.002 57.932 58.000 -0.110 0.000 1.377 185 F CB -1.200 37.742 39.000 -0.098 0.000 1.051 185 F HN 0.122 nan 8.300 nan 0.000 0.511 186 A N 0.414 123.303 122.820 0.115 0.000 1.933 186 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 186 A C 2.318 179.938 177.584 0.060 0.000 1.175 186 A CA 1.397 53.490 52.037 0.093 0.000 0.628 186 A CB -0.679 18.368 19.000 0.078 0.000 0.814 186 A HN 0.295 nan 8.150 nan 0.000 0.444 187 R N -1.193 119.315 120.500 0.013 0.000 2.237 187 R HA 0.045 4.385 4.340 -0.000 0.000 0.219 187 R C 1.350 177.663 176.300 0.023 0.000 1.080 187 R CA 1.256 57.358 56.100 0.003 0.000 0.995 187 R CB -0.253 30.022 30.300 -0.041 0.000 0.875 187 R HN 0.559 nan 8.270 nan 0.000 0.462 188 M N -0.810 118.819 119.600 0.048 0.000 2.494 188 M HA 0.174 4.654 4.480 -0.000 0.000 0.232 188 M C 0.676 177.037 176.300 0.103 0.000 1.137 188 M CA 0.319 55.665 55.300 0.076 0.000 1.012 188 M CB 1.168 33.829 32.600 0.101 0.000 1.567 188 M HN 0.314 nan 8.290 nan 0.000 0.486 189 G N 1.649 110.504 108.800 0.092 0.000 2.147 189 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 189 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 189 G C -0.252 174.701 174.900 0.089 0.000 1.005 189 G CA -0.152 45.001 45.100 0.089 0.000 0.713 189 G HN 0.414 nan 8.290 nan 0.000 0.515 190 L N -0.785 120.502 121.223 0.106 0.000 2.330 190 L HA 0.586 4.926 4.340 -0.000 0.000 0.271 190 L C 0.471 177.408 176.870 0.111 0.000 1.013 190 L CA -1.017 53.879 54.840 0.095 0.000 0.816 190 L CB 1.784 43.899 42.059 0.093 0.000 1.287 190 L HN -0.033 nan 8.230 nan 0.000 0.435 191 K N 2.317 122.770 120.400 0.088 0.000 2.290 191 K HA 0.477 4.796 4.320 -0.000 0.000 0.250 191 K C -0.585 176.060 176.600 0.075 0.000 1.092 191 K CA -0.308 56.050 56.287 0.118 0.000 1.006 191 K CB 1.234 33.805 32.500 0.120 0.000 1.549 191 K HN 0.604 nan 8.250 nan 0.000 0.436 192 A N 4.785 127.648 122.820 0.072 0.000 2.366 192 A HA 0.295 4.615 4.320 -0.000 0.000 0.322 192 A C 0.001 177.644 177.584 0.098 0.000 1.397 192 A CA -0.691 51.323 52.037 -0.039 0.000 0.984 192 A CB 0.015 18.767 19.000 -0.413 0.000 1.149 192 A HN 0.512 nan 8.150 nan 0.000 0.540 193 I N 4.768 125.363 120.570 0.043 0.000 2.416 193 I HA 0.232 4.402 4.170 -0.000 0.000 0.288 193 I C -2.039 173.954 176.117 -0.205 0.000 1.051 193 I CA -2.552 58.777 61.300 0.048 0.000 1.375 193 I CB 0.704 38.755 38.000 0.086 0.000 1.407 193 I HN 0.387 nan 8.210 nan 0.000 0.516 194 P HA 0.327 nan 4.420 nan 0.000 0.276 194 P C -0.907 176.264 177.300 -0.216 0.000 1.235 194 P CA -0.280 62.280 63.100 -0.901 0.000 0.772 194 P CB 1.022 32.039 31.700 -1.139 0.000 0.871 195 M N 2.139 121.683 119.600 -0.093 0.000 2.484 195 M HA 0.396 4.875 4.480 -0.000 0.000 0.289 195 M C 0.371 176.748 176.300 0.129 0.000 1.206 195 M CA -0.874 54.467 55.300 0.068 0.000 0.892 195 M CB 3.041 35.651 32.600 0.016 0.000 1.712 195 M HN 0.152 nan 8.290 nan 0.000 0.462 196 R N 0.928 121.456 120.500 0.046 0.000 2.623 196 R HA 0.559 4.899 4.340 -0.000 0.000 0.271 196 R C -0.365 175.898 176.300 -0.062 0.000 1.043 196 R CA 0.064 56.081 56.100 -0.138 0.000 1.083 196 R CB 0.440 30.654 30.300 -0.144 0.000 0.974 196 R HN 0.771 nan 8.270 nan 0.000 0.436 197 A N 1.732 124.518 122.820 -0.056 0.000 2.524 197 A HA 0.323 4.642 4.320 -0.000 0.000 0.286 197 A C -1.006 176.613 177.584 0.059 0.000 1.203 197 A CA -0.796 51.259 52.037 0.030 0.000 0.736 197 A CB 1.082 20.130 19.000 0.080 0.000 1.322 197 A HN 0.657 nan 8.150 nan 0.000 0.424 198 E N 0.792 121.033 120.200 0.067 0.000 2.652 198 E HA 0.261 4.611 4.350 -0.000 0.000 0.255 198 E C 0.449 177.152 176.600 0.171 0.000 0.952 198 E CA 1.021 57.467 56.400 0.076 0.000 0.947 198 E CB 0.210 29.928 29.700 0.030 0.000 0.912 198 E HN 0.682 nan 8.360 nan 0.000 0.489 199 T N 1.406 116.069 114.554 0.182 0.000 2.912 199 T HA 0.687 5.037 4.350 -0.000 0.000 0.280 199 T C 0.777 175.655 174.700 0.296 0.000 0.989 199 T CA -0.590 61.691 62.100 0.302 0.000 0.995 199 T CB 1.630 70.596 68.868 0.163 0.000 1.077 199 T HN 0.455 nan 8.240 nan 0.000 0.531 200 G N 0.295 109.338 108.800 0.406 0.000 2.553 200 G HA2 0.431 4.391 3.960 -0.000 0.000 0.278 200 G HA3 0.431 4.391 3.960 -0.000 0.000 0.278 200 G C -1.346 173.642 174.900 0.147 0.000 1.349 200 G CA -1.397 43.880 45.100 0.294 0.000 1.037 200 G HN 0.548 nan 8.290 nan 0.000 0.508 201 P HA -0.173 nan 4.420 nan 0.000 0.219 201 P C 1.435 178.766 177.300 0.051 0.000 1.161 201 P CA 1.424 64.559 63.100 0.059 0.000 0.909 201 P CB 0.011 31.735 31.700 0.040 0.000 0.793 202 I N -2.535 118.067 120.570 0.053 0.000 3.749 202 I HA 0.170 4.340 4.170 -0.000 0.000 0.314 202 I C 1.572 177.717 176.117 0.047 0.000 1.267 202 I CA 0.235 61.562 61.300 0.045 0.000 1.169 202 I CB -1.068 36.959 38.000 0.045 0.000 1.009 202 I HN 0.050 nan 8.210 nan 0.000 0.444 203 G N 1.616 110.450 108.800 0.058 0.000 2.566 203 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.280 203 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.280 203 G C 0.404 175.326 174.900 0.037 0.000 1.225 203 G CA -0.126 45.005 45.100 0.051 0.000 0.966 203 G HN 1.156 nan 8.290 nan 0.000 0.560 204 G N -1.561 107.246 108.800 0.012 0.000 2.466 204 G HA2 0.407 4.366 3.960 -0.000 0.000 0.316 204 G HA3 0.407 4.366 3.960 -0.000 0.000 0.316 204 G C -0.012 174.864 174.900 -0.040 0.000 1.270 204 G CA 0.798 45.886 45.100 -0.020 0.000 0.982 204 G HN 2.306 nan 8.290 nan 0.000 0.506 205 D N -0.752 119.598 120.400 -0.084 0.000 2.501 205 D HA 0.227 4.867 4.640 -0.000 0.000 0.224 205 D C 0.980 177.205 176.300 -0.125 0.000 1.202 205 D CA -0.089 53.862 54.000 -0.080 0.000 0.829 205 D CB -0.014 40.757 40.800 -0.049 0.000 1.023 205 D HN 0.454 nan 8.370 nan 0.000 0.499 206 L N 0.608 121.711 121.223 -0.199 0.000 2.935 206 L HA 0.351 4.690 4.340 -0.000 0.000 0.243 206 L C -0.195 176.658 176.870 -0.028 0.000 1.313 206 L CA -0.410 54.189 54.840 -0.402 0.000 0.969 206 L CB 0.619 42.237 42.059 -0.735 0.000 1.320 206 L HN -0.046 nan 8.230 nan 0.000 0.511 207 S N -0.139 115.634 115.700 0.120 0.000 2.720 207 S HA 0.601 5.070 4.470 -0.000 0.000 0.278 207 S C -1.181 173.446 174.600 0.044 0.000 1.172 207 S CA -0.389 58.005 58.200 0.323 0.000 1.019 207 S CB 0.752 64.175 63.200 0.372 0.000 1.049 207 S HN 0.498 nan 8.310 nan 0.000 0.483 208 H N 1.593 120.909 119.070 0.410 0.000 2.895 208 H HA 0.569 5.125 4.556 -0.000 0.000 0.373 208 H C -0.812 174.631 175.328 0.192 0.000 1.174 208 H CA -0.700 55.483 56.048 0.226 0.000 1.144 208 H CB 1.609 31.466 29.762 0.158 0.000 1.793 208 H HN 0.550 nan 8.280 nan 0.000 0.551 209 E N 1.351 121.666 120.200 0.191 0.000 2.227 209 E HA 0.352 4.702 4.350 -0.000 0.000 0.268 209 E C -1.108 175.519 176.600 0.046 0.000 0.907 209 E CA -0.758 55.760 56.400 0.197 0.000 0.786 209 E CB 2.189 31.961 29.700 0.120 0.000 1.191 209 E HN 0.310 nan 8.360 nan 0.000 0.411 210 F N 2.299 122.262 119.950 0.022 0.000 2.388 210 F HA 0.439 4.966 4.527 -0.000 0.000 0.358 210 F C -0.012 175.665 175.800 -0.204 0.000 1.122 210 F CA -0.576 57.371 58.000 -0.089 0.000 1.056 210 F CB 0.771 39.734 39.000 -0.062 0.000 1.155 210 F HN 0.161 nan 8.300 nan 0.000 0.461 211 I N 4.150 124.685 120.570 -0.057 0.000 2.447 211 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 211 I C -0.919 175.142 176.117 -0.092 0.000 1.023 211 I CA -0.862 60.389 61.300 -0.083 0.000 1.083 211 I CB 1.923 39.892 38.000 -0.050 0.000 1.245 211 I HN 0.168 nan 8.210 nan 0.000 0.434 212 V N 7.190 127.031 119.914 -0.121 0.000 2.432 212 V HA 0.247 4.367 4.120 -0.000 0.000 0.271 212 V C 0.432 176.487 176.094 -0.064 0.000 1.046 212 V CA -0.537 61.709 62.300 -0.090 0.000 0.945 212 V CB 0.961 32.722 31.823 -0.104 0.000 0.992 212 V HN 0.462 nan 8.190 nan 0.000 0.471 213 L N 4.921 126.119 121.223 -0.043 0.000 2.453 213 L HA 0.568 4.907 4.340 -0.000 0.000 0.272 213 L C 0.407 177.250 176.870 -0.045 0.000 1.182 213 L CA 0.407 55.220 54.840 -0.045 0.000 0.858 213 L CB 0.444 42.485 42.059 -0.030 0.000 1.120 213 L HN 0.819 nan 8.230 nan 0.000 0.474 214 A N 2.477 125.262 122.820 -0.058 0.000 2.565 214 A HA 0.272 4.592 4.320 -0.000 0.000 0.298 214 A C 0.390 177.931 177.584 -0.072 0.000 1.062 214 A CA -0.629 51.376 52.037 -0.053 0.000 0.723 214 A CB 0.913 19.882 19.000 -0.052 0.000 1.282 214 A HN 0.822 nan 8.150 nan 0.000 0.400 215 E N 0.630 120.795 120.200 -0.059 0.000 2.114 215 E HA -0.238 4.111 4.350 -0.000 0.000 0.199 215 E C 1.576 178.113 176.600 -0.105 0.000 1.008 215 E CA 2.121 58.479 56.400 -0.069 0.000 0.810 215 E CB -0.075 29.598 29.700 -0.045 0.000 0.739 215 E HN 0.873 nan 8.360 nan 0.000 0.456 216 T N -2.025 112.448 114.554 -0.134 0.000 3.144 216 T HA 0.195 4.545 4.350 -0.000 0.000 0.249 216 T C 0.792 175.312 174.700 -0.300 0.000 1.089 216 T CA 0.007 61.969 62.100 -0.229 0.000 0.989 216 T CB 0.391 69.109 68.868 -0.250 0.000 0.992 216 T HN 0.088 nan 8.240 nan 0.000 0.540 217 G N 0.641 109.320 108.800 -0.202 0.000 2.527 217 G HA2 0.298 4.257 3.960 -0.000 0.000 0.248 217 G HA3 0.298 4.257 3.960 -0.000 0.000 0.248 217 G C 0.408 175.207 174.900 -0.167 0.000 1.231 217 G CA -0.577 44.413 45.100 -0.183 0.000 0.838 217 G HN 0.406 nan 8.290 nan 0.000 0.570 218 E N 0.037 120.156 120.200 -0.136 0.000 2.474 218 E HA 0.024 4.373 4.350 -0.000 0.000 0.194 218 E C 0.480 177.048 176.600 -0.054 0.000 1.041 218 E CA 0.161 56.513 56.400 -0.081 0.000 0.874 218 E CB 0.361 30.038 29.700 -0.038 0.000 0.914 218 E HN 0.287 nan 8.360 nan 0.000 0.498 219 S N 0.772 116.434 115.700 -0.063 0.000 2.475 219 S HA 0.398 4.868 4.470 -0.000 0.000 0.281 219 S C 0.158 174.716 174.600 -0.070 0.000 1.198 219 S CA -0.634 57.538 58.200 -0.048 0.000 1.063 219 S CB 1.631 64.806 63.200 -0.042 0.000 0.972 219 S HN 0.209 nan 8.310 nan 0.000 0.486 220 G N 1.660 110.425 108.800 -0.058 0.000 2.338 220 G HA2 0.564 4.524 3.960 -0.000 0.000 0.298 220 G HA3 0.564 4.524 3.960 -0.000 0.000 0.298 220 G C -0.320 174.495 174.900 -0.142 0.000 1.140 220 G CA -0.552 44.473 45.100 -0.125 0.000 0.860 220 G HN 0.787 nan 8.290 nan 0.000 0.470 221 V N 0.580 120.301 119.914 -0.321 0.000 3.040 221 V HA 0.825 4.945 4.120 -0.000 0.000 0.312 221 V C -1.599 174.157 176.094 -0.563 0.000 1.115 221 V CA -1.591 60.567 62.300 -0.237 0.000 0.998 221 V CB 1.704 33.468 31.823 -0.099 0.000 1.042 221 V HN 0.645 nan 8.190 nan 0.000 0.433 222 Y N 4.418 124.620 120.300 -0.164 0.000 2.322 222 Y HA 0.811 5.361 4.550 -0.000 0.000 0.324 222 Y C -0.005 175.987 175.900 0.152 0.000 1.027 222 Y CA -0.658 57.291 58.100 -0.252 0.000 1.179 222 Y CB 1.906 39.797 38.460 -0.949 0.000 1.136 222 Y HN 0.940 nan 8.280 nan 0.000 0.449 223 I N -1.430 119.368 120.570 0.380 0.000 2.969 223 I HA 0.616 4.786 4.170 -0.000 0.000 0.307 223 I C -1.252 175.097 176.117 0.386 0.000 1.149 223 I CA -1.100 60.442 61.300 0.403 0.000 1.008 223 I CB 2.483 40.605 38.000 0.203 0.000 1.232 223 I HN 0.317 nan 8.210 nan 0.000 0.435 224 D N 3.359 123.951 120.400 0.320 0.000 2.317 224 D HA 0.228 4.868 4.640 -0.000 0.000 0.252 224 D C 0.948 177.314 176.300 0.111 0.000 1.174 224 D CA -0.025 54.079 54.000 0.172 0.000 0.866 224 D CB 1.496 42.389 40.800 0.154 0.000 1.127 224 D HN 0.597 nan 8.370 nan 0.000 0.467 225 R N 2.477 123.019 120.500 0.071 0.000 2.170 225 R HA -0.163 4.176 4.340 -0.000 0.000 0.242 225 R C 0.851 177.163 176.300 0.021 0.000 1.145 225 R CA 1.093 57.218 56.100 0.042 0.000 0.984 225 R CB 0.137 30.451 30.300 0.023 0.000 0.869 225 R HN 0.505 nan 8.270 nan 0.000 0.455 226 D N 0.077 120.483 120.400 0.011 0.000 2.190 226 D HA -0.152 4.488 4.640 -0.000 0.000 0.200 226 D C 1.668 177.936 176.300 -0.053 0.000 0.992 226 D CA 0.812 54.799 54.000 -0.021 0.000 0.854 226 D CB -0.229 40.556 40.800 -0.025 0.000 0.936 226 D HN 0.027 nan 8.370 nan 0.000 0.462 227 V N 0.487 120.388 119.914 -0.022 0.000 2.867 227 V HA -0.164 3.956 4.120 -0.000 0.000 0.260 227 V C 1.975 178.041 176.094 -0.046 0.000 1.099 227 V CA 0.981 63.249 62.300 -0.054 0.000 1.122 227 V CB -0.268 31.592 31.823 0.062 0.000 0.708 227 V HN 0.223 nan 8.190 nan 0.000 0.490 228 L N -0.072 121.152 121.223 0.001 0.000 2.478 228 L HA 0.037 4.377 4.340 -0.000 0.000 0.223 228 L C 1.233 178.115 176.870 0.020 0.000 1.140 228 L CA 1.168 56.032 54.840 0.041 0.000 0.842 228 L CB -0.373 41.708 42.059 0.037 0.000 0.953 228 L HN 0.476 nan 8.230 nan 0.000 0.452 229 N N -0.911 117.760 118.700 -0.048 0.000 2.282 229 N HA 0.249 4.989 4.740 -0.000 0.000 0.240 229 N C -0.320 175.116 175.510 -0.123 0.000 1.182 229 N CA -0.251 52.770 53.050 -0.050 0.000 0.874 229 N CB 0.697 39.158 38.487 -0.043 0.000 1.126 229 N HN 0.117 nan 8.380 nan 0.000 0.516 230 L N 1.504 122.550 121.223 -0.295 0.000 2.421 230 L HA 0.461 4.801 4.340 -0.000 0.000 0.263 230 L C -1.911 174.868 176.870 -0.152 0.000 1.122 230 L CA -1.848 52.681 54.840 -0.519 0.000 0.804 230 L CB 0.276 41.503 42.059 -1.388 0.000 1.150 230 L HN -0.045 nan 8.230 nan 0.000 0.457 231 P HA 0.200 nan 4.420 nan 0.000 0.292 231 P C -0.852 176.759 177.300 0.517 0.000 1.287 231 P CA -0.347 62.888 63.100 0.226 0.000 0.800 231 P CB 1.494 33.264 31.700 0.116 0.000 0.945 232 V N 6.077 126.248 119.914 0.427 0.000 2.461 232 V HA 0.196 4.315 4.120 -0.000 0.000 0.275 232 V C -1.767 174.437 176.094 0.184 0.000 1.047 232 V CA -1.396 61.098 62.300 0.324 0.000 0.955 232 V CB 0.307 32.253 31.823 0.205 0.000 0.988 232 V HN 0.572 nan 8.190 nan 0.000 0.471 233 P HA 0.115 nan 4.420 nan 0.000 0.266 233 P C -0.613 176.703 177.300 0.027 0.000 1.195 233 P CA -0.193 62.941 63.100 0.056 0.000 0.768 233 P CB 0.328 32.023 31.700 -0.008 0.000 0.838 234 D N 0.298 120.708 120.400 0.015 0.000 2.447 234 D HA -0.003 4.637 4.640 -0.000 0.000 0.265 234 D C 0.905 177.203 176.300 -0.003 0.000 1.250 234 D CA -0.469 53.539 54.000 0.013 0.000 1.046 234 D CB 0.125 40.935 40.800 0.017 0.000 1.095 234 D HN 0.492 nan 8.370 nan 0.000 0.555 235 E N -0.979 119.226 120.200 0.009 0.000 2.409 235 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 235 E C 0.463 177.073 176.600 0.016 0.000 1.024 235 E CA 0.785 57.197 56.400 0.019 0.000 0.861 235 E CB -0.741 28.971 29.700 0.021 0.000 0.788 235 E HN 0.458 nan 8.360 nan 0.000 0.521 236 N N 0.939 119.636 118.700 -0.005 0.000 2.314 236 N HA 0.059 4.799 4.740 -0.000 0.000 0.200 236 N C -0.266 175.213 175.510 -0.053 0.000 1.135 236 N CA -0.264 52.779 53.050 -0.012 0.000 0.835 236 N CB 1.045 39.528 38.487 -0.007 0.000 0.989 236 N HN -0.014 nan 8.380 nan 0.000 0.478 237 V N 1.450 121.295 119.914 -0.114 0.000 2.617 237 V HA -0.108 4.012 4.120 -0.000 0.000 0.304 237 V C -0.078 175.854 176.094 -0.270 0.000 1.040 237 V CA 0.248 62.407 62.300 -0.236 0.000 1.149 237 V CB 0.622 32.219 31.823 -0.378 0.000 0.914 237 V HN 0.187 nan 8.190 nan 0.000 0.487 238 D N 5.977 126.261 120.400 -0.194 0.000 2.422 238 D HA 0.142 4.782 4.640 -0.000 0.000 0.227 238 D C 0.396 176.622 176.300 -0.123 0.000 1.190 238 D CA 0.126 54.062 54.000 -0.106 0.000 0.905 238 D CB 0.317 41.089 40.800 -0.046 0.000 1.034 238 D HN 0.620 nan 8.370 nan 0.000 0.507 239 Y N 1.386 121.677 120.300 -0.015 0.000 2.497 239 Y HA -0.068 4.482 4.550 -0.000 0.000 0.292 239 Y C 1.588 177.478 175.900 -0.016 0.000 1.137 239 Y CA 0.767 58.854 58.100 -0.022 0.000 1.285 239 Y CB 0.281 38.722 38.460 -0.031 0.000 0.991 239 Y HN 0.427 nan 8.280 nan 0.000 0.556 240 D N -0.903 119.568 120.400 0.118 0.000 2.340 240 D HA 0.079 4.718 4.640 -0.000 0.000 0.220 240 D C 1.295 177.617 176.300 0.036 0.000 1.039 240 D CA 0.425 54.468 54.000 0.071 0.000 0.866 240 D CB -0.011 40.824 40.800 0.058 0.000 0.913 240 D HN 0.283 nan 8.370 nan 0.000 0.523 241 G N 0.066 108.875 108.800 0.015 0.000 2.531 241 G HA2 0.115 4.075 3.960 -0.000 0.000 0.281 241 G HA3 0.115 4.075 3.960 -0.000 0.000 0.281 241 G C -0.539 174.356 174.900 -0.009 0.000 1.382 241 G CA -0.380 44.718 45.100 -0.004 0.000 1.045 241 G HN -0.119 nan 8.290 nan 0.000 0.533 242 D N -0.350 120.040 120.400 -0.017 0.000 2.338 242 D HA 0.163 4.802 4.640 -0.000 0.000 0.255 242 D C 1.244 177.523 176.300 -0.034 0.000 1.237 242 D CA -0.096 53.891 54.000 -0.021 0.000 0.883 242 D CB 0.613 41.401 40.800 -0.020 0.000 1.087 242 D HN 0.132 nan 8.370 nan 0.000 0.485 243 L N 2.853 124.054 121.223 -0.037 0.000 2.592 243 L HA 0.034 4.374 4.340 -0.000 0.000 0.227 243 L C 2.058 178.890 176.870 -0.063 0.000 1.127 243 L CA 0.030 54.837 54.840 -0.055 0.000 0.884 243 L CB -0.147 41.880 42.059 -0.054 0.000 1.065 243 L HN 0.360 nan 8.230 nan 0.000 0.457 244 T N 0.677 115.198 114.554 -0.055 0.000 2.699 244 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 244 T C -0.487 174.179 174.700 -0.056 0.000 1.036 244 T CA 1.475 63.537 62.100 -0.064 0.000 1.147 244 T CB -0.966 67.873 68.868 -0.049 0.000 0.862 244 T HN 0.266 nan 8.240 nan 0.000 0.446 245 P HA 0.043 nan 4.420 nan 0.000 0.218 245 P C 1.377 178.680 177.300 0.005 0.000 1.149 245 P CA 0.830 63.919 63.100 -0.017 0.000 0.817 245 P CB -0.189 31.504 31.700 -0.011 0.000 0.785 246 I N -1.298 119.277 120.570 0.009 0.000 2.202 246 I HA -0.185 3.984 4.170 -0.000 0.000 0.242 246 I C 2.007 178.172 176.117 0.081 0.000 1.091 246 I CA 1.090 62.445 61.300 0.092 0.000 1.368 246 I CB -0.584 37.454 38.000 0.063 0.000 1.058 246 I HN -0.147 nan 8.210 nan 0.000 0.410 247 I N 1.011 121.493 120.570 -0.147 0.000 2.179 247 I HA -0.287 3.882 4.170 -0.000 0.000 0.242 247 I C 2.484 178.504 176.117 -0.162 0.000 1.088 247 I CA 1.538 62.590 61.300 -0.413 0.000 1.357 247 I CB -1.427 36.264 38.000 -0.514 0.000 1.051 247 I HN 0.266 nan 8.210 nan 0.000 0.409 248 K N 0.849 121.201 120.400 -0.081 0.000 2.020 248 K HA -0.291 4.028 4.320 -0.000 0.000 0.212 248 K C 2.243 178.850 176.600 0.011 0.000 1.050 248 K CA 2.140 58.411 56.287 -0.026 0.000 0.929 248 K CB -0.227 32.259 32.500 -0.024 0.000 0.714 248 K HN 0.357 nan 8.250 nan 0.000 0.443 249 Q N -0.658 119.157 119.800 0.025 0.000 2.096 249 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 249 Q C 1.432 177.405 176.000 -0.045 0.000 0.982 249 Q CA 2.012 57.803 55.803 -0.019 0.000 0.850 249 Q CB -0.190 28.531 28.738 -0.028 0.000 0.901 249 Q HN 0.499 nan 8.270 nan 0.000 0.422 250 W N 0.106 121.423 121.300 0.027 0.000 3.180 250 W HA 0.039 4.699 4.660 -0.000 0.000 0.254 250 W C 1.245 177.832 176.519 0.114 0.000 1.318 250 W CA 1.216 58.630 57.345 0.114 0.000 1.608 250 W CB 0.526 30.155 29.460 0.283 0.000 1.124 250 W HN 0.285 nan 8.180 nan 0.000 0.694 251 T N -5.032 109.644 114.554 0.203 0.000 3.200 251 T HA 0.106 4.456 4.350 -0.000 0.000 0.284 251 T C 1.437 176.195 174.700 0.096 0.000 1.009 251 T CA 0.354 62.552 62.100 0.163 0.000 0.907 251 T CB -0.346 68.607 68.868 0.142 0.000 1.120 251 T HN -0.021 nan 8.240 nan 0.000 0.534 252 S N 1.110 116.846 115.700 0.060 0.000 2.496 252 S HA 0.233 4.703 4.470 -0.000 0.000 0.224 252 S C 0.783 175.416 174.600 0.054 0.000 0.996 252 S CA 0.200 58.423 58.200 0.037 0.000 0.927 252 S CB -0.612 62.589 63.200 0.001 0.000 0.774 252 S HN 0.728 nan 8.310 nan 0.000 0.524 253 V N -1.757 118.197 119.914 0.068 0.000 2.881 253 V HA 0.612 4.732 4.120 -0.000 0.000 0.316 253 V C -0.292 175.906 176.094 0.173 0.000 1.070 253 V CA -1.718 60.647 62.300 0.109 0.000 0.976 253 V CB 0.656 32.525 31.823 0.078 0.000 1.038 253 V HN 0.289 nan 8.190 nan 0.000 0.446 254 Y N 2.303 122.674 120.300 0.118 0.000 2.620 254 Y HA 0.460 5.010 4.550 -0.000 0.000 0.330 254 Y C 0.415 176.428 175.900 0.189 0.000 1.186 254 Y CA 1.039 59.243 58.100 0.173 0.000 1.467 254 Y CB 0.206 38.808 38.460 0.237 0.000 1.262 254 Y HN 1.191 nan 8.280 nan 0.000 0.550 255 A N 4.988 127.731 122.820 -0.130 0.000 2.485 255 A HA 0.801 5.121 4.320 -0.000 0.000 0.285 255 A C -1.608 175.877 177.584 -0.164 0.000 1.045 255 A CA 0.004 52.050 52.037 0.016 0.000 0.792 255 A CB 0.412 19.468 19.000 0.093 0.000 1.307 255 A HN 1.218 nan 8.150 nan 0.000 0.406 256 A N 1.579 124.363 122.820 -0.060 0.000 2.520 256 A HA 0.903 5.223 4.320 -0.000 0.000 0.298 256 A C 0.091 177.744 177.584 0.115 0.000 1.051 256 A CA 0.098 52.117 52.037 -0.029 0.000 0.690 256 A CB 0.896 19.841 19.000 -0.093 0.000 1.281 256 A HN 2.025 nan 8.150 nan 0.000 0.402 257 T N -0.937 113.670 114.554 0.088 0.000 2.828 257 T HA 0.294 4.644 4.350 -0.000 0.000 0.290 257 T C 1.070 175.882 174.700 0.188 0.000 1.019 257 T CA 0.445 62.613 62.100 0.113 0.000 1.031 257 T CB 0.614 69.521 68.868 0.066 0.000 1.001 257 T HN 0.852 nan 8.240 nan 0.000 0.531 258 E N 0.577 120.907 120.200 0.217 0.000 2.219 258 E HA -0.247 4.102 4.350 -0.000 0.000 0.198 258 E C 0.856 177.538 176.600 0.136 0.000 0.998 258 E CA 1.503 58.055 56.400 0.252 0.000 0.818 258 E CB -0.371 29.468 29.700 0.233 0.000 0.741 258 E HN 0.668 nan 8.360 nan 0.000 0.477 259 D N 1.082 121.538 120.400 0.094 0.000 2.219 259 D HA -0.097 4.542 4.640 -0.000 0.000 0.205 259 D C 1.958 178.288 176.300 0.049 0.000 0.970 259 D CA 1.758 55.793 54.000 0.058 0.000 0.851 259 D CB 0.482 41.307 40.800 0.041 0.000 0.943 259 D HN 0.407 nan 8.370 nan 0.000 0.488 260 V N -2.285 117.665 119.914 0.060 0.000 3.398 260 V HA 0.197 4.317 4.120 -0.000 0.000 0.298 260 V C 0.462 176.583 176.094 0.044 0.000 1.496 260 V CA -0.539 61.783 62.300 0.036 0.000 1.044 260 V CB -0.659 31.175 31.823 0.018 0.000 0.880 260 V HN -0.051 nan 8.190 nan 0.000 0.443 261 H N 2.904 121.949 119.070 -0.042 0.000 3.064 261 H HA 0.306 4.861 4.556 -0.000 0.000 0.329 261 H C -0.279 174.991 175.328 -0.097 0.000 1.020 261 H CA 1.133 57.126 56.048 -0.091 0.000 1.402 261 H CB 0.544 30.062 29.762 -0.407 0.000 1.379 261 H HN 0.471 nan 8.280 nan 0.000 0.594 262 E N 6.405 126.306 120.200 -0.499 0.000 2.220 262 E HA 0.151 4.501 4.350 -0.000 0.000 0.256 262 E C -1.974 174.249 176.600 -0.629 0.000 0.881 262 E CA -1.986 54.121 56.400 -0.488 0.000 0.766 262 E CB 1.592 31.206 29.700 -0.144 0.000 1.187 262 E HN 0.600 nan 8.360 nan 0.000 0.419 263 P HA -0.246 nan 4.420 nan 0.000 0.216 263 P C 1.199 178.445 177.300 -0.089 0.000 1.157 263 P CA 2.049 64.969 63.100 -0.300 0.000 0.880 263 P CB 0.348 31.958 31.700 -0.149 0.000 0.791 264 A N -0.310 122.455 122.820 -0.092 0.000 1.865 264 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 264 A C 2.436 180.004 177.584 -0.026 0.000 1.191 264 A CA 2.107 54.119 52.037 -0.042 0.000 0.623 264 A CB -1.292 17.687 19.000 -0.036 0.000 0.826 264 A HN 0.053 nan 8.150 nan 0.000 0.444 265 R N -2.207 118.286 120.500 -0.012 0.000 2.073 265 R HA -0.202 4.138 4.340 -0.000 0.000 0.234 265 R C 2.097 178.389 176.300 -0.014 0.000 1.134 265 R CA 1.929 58.059 56.100 0.051 0.000 0.952 265 R CB -0.577 29.822 30.300 0.165 0.000 0.850 265 R HN 0.560 nan 8.270 nan 0.000 0.433 266 Y N 1.897 121.964 120.300 -0.389 0.000 2.081 266 Y HA -0.263 4.287 4.550 -0.000 0.000 0.280 266 Y C 1.782 177.500 175.900 -0.303 0.000 1.163 266 Y CA 2.266 59.946 58.100 -0.700 0.000 1.135 266 Y CB -0.365 37.808 38.460 -0.479 0.000 0.970 266 Y HN 0.220 nan 8.280 nan 0.000 0.498 267 E N -1.316 118.807 120.200 -0.129 0.000 2.153 267 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 267 E C 2.438 178.955 176.600 -0.138 0.000 0.988 267 E CA 1.240 57.535 56.400 -0.175 0.000 0.811 267 E CB -0.289 29.370 29.700 -0.068 0.000 0.746 267 E HN 0.361 nan 8.360 nan 0.000 0.466 268 S N 0.335 115.985 115.700 -0.084 0.000 2.387 268 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 268 S C 1.674 176.250 174.600 -0.039 0.000 1.026 268 S CA 0.974 59.146 58.200 -0.047 0.000 0.972 268 S CB 0.052 63.245 63.200 -0.013 0.000 0.814 268 S HN 0.207 nan 8.310 nan 0.000 0.477 269 E N -0.026 120.151 120.200 -0.037 0.000 2.340 269 E HA 0.132 4.482 4.350 -0.000 0.000 0.194 269 E C -0.405 176.174 176.600 -0.035 0.000 0.996 269 E CA 0.138 56.545 56.400 0.012 0.000 0.869 269 E CB 0.694 30.475 29.700 0.134 0.000 0.835 269 E HN 0.279 nan 8.360 nan 0.000 0.493 270 V N 3.599 123.421 119.914 -0.154 0.000 2.357 270 V HA 0.235 4.355 4.120 -0.000 0.000 0.284 270 V C -2.401 173.574 176.094 -0.198 0.000 1.018 270 V CA -2.315 59.869 62.300 -0.192 0.000 0.841 270 V CB 1.024 32.647 31.823 -0.333 0.000 0.991 270 V HN -0.053 nan 8.190 nan 0.000 0.437 271 P HA 0.029 nan 4.420 nan 0.000 0.266 271 P C 0.981 178.206 177.300 -0.124 0.000 1.195 271 P CA 0.213 63.253 63.100 -0.100 0.000 0.768 271 P CB 0.846 32.509 31.700 -0.062 0.000 0.838 272 E N 3.113 123.246 120.200 -0.111 0.000 2.114 272 E HA -0.285 4.065 4.350 -0.000 0.000 0.199 272 E C 1.564 178.115 176.600 -0.082 0.000 1.008 272 E CA 1.713 58.048 56.400 -0.108 0.000 0.810 272 E CB -0.328 29.330 29.700 -0.070 0.000 0.739 272 E HN 0.506 nan 8.360 nan 0.000 0.456 273 A N 0.183 122.968 122.820 -0.058 0.000 2.168 273 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 273 A C 1.494 179.058 177.584 -0.034 0.000 1.152 273 A CA 0.969 52.984 52.037 -0.038 0.000 0.716 273 A CB -0.173 18.810 19.000 -0.029 0.000 0.794 273 A HN 0.224 nan 8.150 nan 0.000 0.465 274 N N -0.318 118.353 118.700 -0.049 0.000 2.353 274 N HA 0.074 4.814 4.740 -0.000 0.000 0.185 274 N C 0.164 175.662 175.510 -0.020 0.000 1.098 274 N CA 0.119 53.150 53.050 -0.031 0.000 0.872 274 N CB 0.092 38.559 38.487 -0.033 0.000 0.970 274 N HN 0.390 nan 8.380 nan 0.000 0.467 275 R N 0.777 121.241 120.500 -0.060 0.000 2.401 275 R HA 0.226 4.566 4.340 -0.000 0.000 0.299 275 R C -0.842 175.513 176.300 0.092 0.000 1.064 275 R CA -0.297 55.784 56.100 -0.032 0.000 1.000 275 R CB 0.564 30.748 30.300 -0.194 0.000 0.973 275 R HN -0.021 nan 8.270 nan 0.000 0.438 276 L N 3.622 124.952 121.223 0.180 0.000 2.404 276 L HA 0.330 4.670 4.340 -0.000 0.000 0.272 276 L C -1.319 175.586 176.870 0.058 0.000 0.980 276 L CA -0.619 54.278 54.840 0.095 0.000 0.836 276 L CB 1.611 43.701 42.059 0.052 0.000 1.238 276 L HN 0.470 nan 8.230 nan 0.000 0.408 277 N N 3.191 121.870 118.700 -0.036 0.000 2.444 277 N HA 0.676 5.416 4.740 -0.000 0.000 0.262 277 N C -0.875 174.481 175.510 -0.258 0.000 0.974 277 N CA 0.094 52.959 53.050 -0.310 0.000 0.933 277 N CB 1.296 39.580 38.487 -0.338 0.000 1.137 277 N HN 0.724 nan 8.380 nan 0.000 0.498 278 T N 1.365 115.745 114.554 -0.290 0.000 2.681 278 T HA 0.504 4.854 4.350 -0.000 0.000 0.296 278 T C -1.180 173.401 174.700 -0.197 0.000 1.157 278 T CA -0.684 61.302 62.100 -0.190 0.000 1.025 278 T CB 0.734 69.535 68.868 -0.111 0.000 1.441 278 T HN 0.343 nan 8.240 nan 0.000 0.504 279 R N 0.113 120.529 120.500 -0.140 0.000 2.573 279 R HA 0.769 5.109 4.340 -0.000 0.000 0.272 279 R C 0.207 176.444 176.300 -0.106 0.000 1.009 279 R CA -0.448 55.577 56.100 -0.126 0.000 1.059 279 R CB 1.156 31.387 30.300 -0.114 0.000 1.112 279 R HN 0.866 nan 8.270 nan 0.000 0.517 280 G N 0.433 109.174 108.800 -0.100 0.000 2.649 280 G HA2 0.531 4.491 3.960 -0.000 0.000 0.290 280 G HA3 0.531 4.491 3.960 -0.000 0.000 0.290 280 G C -1.310 173.536 174.900 -0.089 0.000 1.426 280 G CA -0.721 44.326 45.100 -0.088 0.000 0.794 280 G HN 0.360 nan 8.290 nan 0.000 0.483 281 I N 1.044 121.560 120.570 -0.089 0.000 2.362 281 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 281 I C 0.209 176.271 176.117 -0.092 0.000 0.994 281 I CA -0.602 60.644 61.300 -0.090 0.000 1.158 281 I CB 1.972 39.918 38.000 -0.090 0.000 1.315 281 I HN 0.386 nan 8.210 nan 0.000 0.451 282 E N 6.405 126.563 120.200 -0.070 0.000 2.217 282 E HA 0.081 4.431 4.350 -0.000 0.000 0.279 282 E C 0.449 177.006 176.600 -0.072 0.000 1.068 282 E CA -0.017 56.351 56.400 -0.053 0.000 0.882 282 E CB 1.289 30.981 29.700 -0.014 0.000 1.039 282 E HN 0.617 nan 8.360 nan 0.000 0.418 283 V N 1.592 121.423 119.914 -0.138 0.000 3.635 283 V HA 0.481 4.601 4.120 -0.000 0.000 0.266 283 V C 0.593 176.650 176.094 -0.062 0.000 1.316 283 V CA 0.514 62.701 62.300 -0.188 0.000 1.060 283 V CB 0.681 32.254 31.823 -0.418 0.000 0.820 283 V HN 0.464 nan 8.190 nan 0.000 0.447 284 G N 0.028 108.858 108.800 0.051 0.000 2.667 284 G HA2 0.626 4.586 3.960 -0.000 0.000 0.298 284 G HA3 0.626 4.586 3.960 -0.000 0.000 0.298 284 G C -1.830 173.333 174.900 0.439 0.000 1.377 284 G CA -0.559 44.730 45.100 0.314 0.000 0.964 284 G HN 0.275 nan 8.290 nan 0.000 0.493 285 Q N 0.713 120.793 119.800 0.468 0.000 2.268 285 Q HA 0.564 4.903 4.340 -0.000 0.000 0.266 285 Q C -1.232 174.970 176.000 0.336 0.000 1.006 285 Q CA -0.808 55.213 55.803 0.364 0.000 0.824 285 Q CB 2.068 30.943 28.738 0.229 0.000 1.306 285 Q HN 0.786 nan 8.270 nan 0.000 0.424 286 I N 0.715 121.484 120.570 0.331 0.000 2.498 286 I HA 0.784 4.953 4.170 -0.000 0.000 0.290 286 I C -1.613 174.778 176.117 0.457 0.000 1.032 286 I CA -0.963 60.472 61.300 0.226 0.000 1.073 286 I CB 1.776 39.749 38.000 -0.045 0.000 1.251 286 I HN 0.601 nan 8.210 nan 0.000 0.426 287 F N 6.810 126.854 119.950 0.156 0.000 2.630 287 F HA 0.411 4.938 4.527 -0.000 0.000 0.325 287 F C -1.744 174.161 175.800 0.176 0.000 1.184 287 F CA -0.811 57.350 58.000 0.269 0.000 1.011 287 F CB 1.613 40.726 39.000 0.189 0.000 1.268 287 F HN 0.603 nan 8.300 nan 0.000 0.480 288 Y N 7.846 127.844 120.300 -0.503 0.000 2.336 288 Y HA 0.398 4.948 4.550 -0.000 0.000 0.335 288 Y C -0.160 175.259 175.900 -0.801 0.000 1.046 288 Y CA -0.793 56.962 58.100 -0.575 0.000 1.198 288 Y CB 0.677 38.877 38.460 -0.435 0.000 1.182 288 Y HN 0.501 nan 8.280 nan 0.000 0.502 289 F N 3.110 122.545 119.950 -0.859 0.000 2.706 289 F HA 0.605 5.132 4.527 -0.000 0.000 0.313 289 F C 1.052 176.377 175.800 -0.792 0.000 1.096 289 F CA -0.494 57.115 58.000 -0.653 0.000 1.219 289 F CB -0.472 38.520 39.000 -0.014 0.000 1.051 289 F HN 0.782 nan 8.300 nan 0.000 0.568 290 G N 1.950 109.901 108.800 -1.416 0.000 2.591 290 G HA2 -0.391 3.568 3.960 -0.000 0.000 0.298 290 G HA3 -0.391 3.568 3.960 -0.000 0.000 0.298 290 G C 0.850 175.507 174.900 -0.406 0.000 1.195 290 G CA 1.132 45.705 45.100 -0.878 0.000 0.989 290 G HN 0.953 nan 8.290 nan 0.000 0.551 291 T N -0.877 113.458 114.554 -0.365 0.000 3.244 291 T HA 0.434 4.784 4.350 -0.000 0.000 0.254 291 T C 1.606 176.232 174.700 -0.123 0.000 1.024 291 T CA 1.163 63.127 62.100 -0.228 0.000 0.920 291 T CB 0.597 69.306 68.868 -0.264 0.000 1.042 291 T HN 0.826 nan 8.240 nan 0.000 0.572 292 K N 0.492 120.824 120.400 -0.114 0.000 2.074 292 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 292 K C 1.023 177.306 176.600 -0.529 0.000 1.048 292 K CA 1.716 57.801 56.287 -0.338 0.000 0.926 292 K CB -0.216 32.014 32.500 -0.451 0.000 0.713 292 K HN 0.549 nan 8.250 nan 0.000 0.444 293 Y N -0.086 120.133 120.300 -0.134 0.000 2.441 293 Y HA 0.024 4.573 4.550 -0.000 0.000 0.288 293 Y C 2.672 178.535 175.900 -0.061 0.000 1.118 293 Y CA 0.714 58.725 58.100 -0.148 0.000 1.215 293 Y CB -0.022 38.290 38.460 -0.247 0.000 1.118 293 Y HN 0.190 nan 8.280 nan 0.000 0.547 294 S N -0.469 115.297 115.700 0.109 0.000 2.447 294 S HA -0.149 4.321 4.470 -0.000 0.000 0.233 294 S C 1.361 175.986 174.600 0.042 0.000 1.006 294 S CA 1.303 59.558 58.200 0.092 0.000 0.957 294 S CB -0.277 62.979 63.200 0.094 0.000 0.773 294 S HN 0.294 nan 8.310 nan 0.000 0.507 295 D N 2.460 122.855 120.400 -0.009 0.000 2.077 295 D HA -0.063 4.577 4.640 -0.000 0.000 0.196 295 D C 2.509 178.800 176.300 -0.014 0.000 0.986 295 D CA 1.991 55.979 54.000 -0.020 0.000 0.829 295 D CB -0.560 40.207 40.800 -0.054 0.000 0.983 295 D HN 0.632 nan 8.370 nan 0.000 0.453 296 S N -0.300 115.378 115.700 -0.037 0.000 2.428 296 S HA -0.058 4.412 4.470 -0.000 0.000 0.230 296 S C 1.856 176.455 174.600 -0.002 0.000 1.014 296 S CA 0.708 58.890 58.200 -0.029 0.000 0.957 296 S CB -0.188 62.975 63.200 -0.061 0.000 0.784 296 S HN 0.187 nan 8.310 nan 0.000 0.499 297 M N 0.121 119.732 119.600 0.018 0.000 2.333 297 M HA 0.363 4.843 4.480 -0.000 0.000 0.257 297 M C -0.364 175.964 176.300 0.046 0.000 1.078 297 M CA -0.107 55.212 55.300 0.032 0.000 1.005 297 M CB 0.053 32.680 32.600 0.045 0.000 1.444 297 M HN 0.029 nan 8.290 nan 0.000 0.496 298 K N 1.009 121.439 120.400 0.049 0.000 3.244 298 K HA -0.151 4.169 4.320 -0.000 0.000 0.270 298 K C -0.332 176.324 176.600 0.093 0.000 1.016 298 K CA 0.399 56.720 56.287 0.058 0.000 0.754 298 K CB -1.532 30.989 32.500 0.036 0.000 1.326 298 K HN 0.478 nan 8.250 nan 0.000 0.465 299 A N 1.917 124.820 122.820 0.138 0.000 2.880 299 A HA 0.348 4.668 4.320 -0.000 0.000 0.328 299 A C -0.205 177.530 177.584 0.252 0.000 1.440 299 A CA -0.546 51.632 52.037 0.236 0.000 1.068 299 A CB -0.028 19.160 19.000 0.313 0.000 1.163 299 A HN 0.479 nan 8.150 nan 0.000 0.510 300 N N -0.043 118.777 118.700 0.201 0.000 2.472 300 N HA 0.622 5.361 4.740 -0.000 0.000 0.289 300 N C -0.538 175.101 175.510 0.214 0.000 1.156 300 N CA -0.734 52.427 53.050 0.186 0.000 0.940 300 N CB 2.346 40.904 38.487 0.119 0.000 1.200 300 N HN 0.423 nan 8.380 nan 0.000 0.511 301 V N -1.887 118.157 119.914 0.218 0.000 2.876 301 V HA 0.535 4.654 4.120 -0.000 0.000 0.312 301 V C -0.069 176.128 176.094 0.171 0.000 1.085 301 V CA -0.824 61.597 62.300 0.201 0.000 0.945 301 V CB 1.612 33.597 31.823 0.269 0.000 1.017 301 V HN 0.563 nan 8.190 nan 0.000 0.428 302 T N 3.800 118.449 114.554 0.158 0.000 2.817 302 T HA 0.483 4.833 4.350 -0.000 0.000 0.295 302 T C 0.685 175.510 174.700 0.208 0.000 0.958 302 T CA 0.884 63.074 62.100 0.150 0.000 1.157 302 T CB 0.477 69.431 68.868 0.143 0.000 0.898 302 T HN 1.290 nan 8.240 nan 0.000 0.536 303 G N 3.771 112.606 108.800 0.059 0.000 2.532 303 G HA2 0.396 4.356 3.960 -0.000 0.000 0.291 303 G HA3 0.396 4.356 3.960 -0.000 0.000 0.291 303 G C -1.576 172.992 174.900 -0.552 0.000 1.349 303 G CA -1.443 43.570 45.100 -0.145 0.000 1.038 303 G HN 0.357 nan 8.290 nan 0.000 0.518 304 P HA -0.052 nan 4.420 nan 0.000 0.216 304 P C 0.981 178.090 177.300 -0.318 0.000 1.150 304 P CA 1.438 64.066 63.100 -0.786 0.000 0.837 304 P CB 0.086 31.479 31.700 -0.512 0.000 0.786 305 D N -1.860 118.418 120.400 -0.204 0.000 2.363 305 D HA 0.067 4.707 4.640 -0.000 0.000 0.226 305 D C 1.479 177.741 176.300 -0.063 0.000 1.020 305 D CA 0.749 54.689 54.000 -0.101 0.000 0.892 305 D CB -1.132 39.627 40.800 -0.068 0.000 0.900 305 D HN 0.243 nan 8.370 nan 0.000 0.531 306 G N -0.404 108.356 108.800 -0.067 0.000 2.179 306 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 306 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 306 G C 0.446 175.350 174.900 0.006 0.000 0.977 306 G CA 0.609 45.703 45.100 -0.011 0.000 0.641 306 G HN 0.526 nan 8.290 nan 0.000 0.533 307 T N 0.519 115.071 114.554 -0.003 0.000 2.918 307 T HA 0.528 4.878 4.350 -0.000 0.000 0.283 307 T C -0.381 174.340 174.700 0.035 0.000 1.001 307 T CA -0.257 61.852 62.100 0.015 0.000 1.041 307 T CB 1.846 70.720 68.868 0.009 0.000 1.028 307 T HN 0.147 nan 8.240 nan 0.000 0.511 308 D N 0.830 121.258 120.400 0.046 0.000 2.225 308 D HA 0.600 5.240 4.640 -0.000 0.000 0.248 308 D C -0.557 175.786 176.300 0.072 0.000 1.096 308 D CA 0.095 54.135 54.000 0.067 0.000 0.863 308 D CB 0.930 41.767 40.800 0.062 0.000 1.156 308 D HN 0.768 nan 8.370 nan 0.000 0.450 309 A N 2.887 125.767 122.820 0.098 0.000 2.549 309 A HA 0.682 5.001 4.320 -0.000 0.000 0.297 309 A C -2.729 174.937 177.584 0.136 0.000 1.061 309 A CA -1.498 50.603 52.037 0.107 0.000 0.690 309 A CB 1.431 20.497 19.000 0.109 0.000 1.287 309 A HN 0.355 nan 8.150 nan 0.000 0.402 310 P HA 0.273 nan 4.420 nan 0.000 0.267 310 P C -0.099 177.296 177.300 0.157 0.000 1.200 310 P CA 0.187 63.355 63.100 0.113 0.000 0.772 310 P CB 0.071 31.797 31.700 0.044 0.000 0.855 311 I N -0.264 120.408 120.570 0.169 0.000 2.945 311 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 311 I C 0.343 176.524 176.117 0.106 0.000 1.093 311 I CA -0.131 61.292 61.300 0.206 0.000 1.336 311 I CB -0.100 38.007 38.000 0.179 0.000 1.435 311 I HN 0.298 nan 8.210 nan 0.000 0.593 312 H N 2.161 121.270 119.070 0.065 0.000 2.511 312 H HA 0.599 5.155 4.556 -0.000 0.000 0.328 312 H C -0.113 175.153 175.328 -0.103 0.000 1.044 312 H CA -0.483 55.581 56.048 0.027 0.000 1.212 312 H CB 1.609 31.466 29.762 0.159 0.000 1.428 312 H HN 0.974 nan 8.280 nan 0.000 0.483 313 G N 1.115 109.734 108.800 -0.302 0.000 2.568 313 G HA2 0.608 4.567 3.960 -0.000 0.000 0.313 313 G HA3 0.608 4.567 3.960 -0.000 0.000 0.313 313 G C -0.692 173.398 174.900 -1.349 0.000 1.227 313 G CA -0.752 43.930 45.100 -0.698 0.000 0.979 313 G HN 0.679 nan 8.290 nan 0.000 0.486 314 G N -0.950 107.167 108.800 -1.139 0.000 2.704 314 G HA2 0.665 4.625 3.960 -0.000 0.000 0.293 314 G HA3 0.665 4.625 3.960 -0.000 0.000 0.293 314 G C -0.739 173.680 174.900 -0.803 0.000 1.421 314 G CA 0.063 44.581 45.100 -0.970 0.000 0.870 314 G HN 1.353 nan 8.290 nan 0.000 0.492 315 S N -0.624 114.637 115.700 -0.732 0.000 2.542 315 S HA 0.814 5.283 4.470 -0.000 0.000 0.293 315 S C -1.596 172.436 174.600 -0.947 0.000 1.089 315 S CA -0.862 56.995 58.200 -0.572 0.000 0.961 315 S CB 1.706 64.990 63.200 0.140 0.000 1.062 315 S HN 0.649 nan 8.310 nan 0.000 0.483 316 Y N 0.064 120.292 120.300 -0.120 0.000 2.322 316 Y HA 0.664 5.214 4.550 -0.000 0.000 0.324 316 Y C 0.422 176.355 175.900 0.054 0.000 1.027 316 Y CA -0.863 57.200 58.100 -0.062 0.000 1.179 316 Y CB 1.931 40.253 38.460 -0.230 0.000 1.136 316 Y HN 1.062 nan 8.280 nan 0.000 0.449 317 G N 1.711 110.673 108.800 0.272 0.000 2.470 317 G HA2 0.621 4.580 3.960 -0.000 0.000 0.320 317 G HA3 0.621 4.580 3.960 -0.000 0.000 0.320 317 G C -1.566 173.456 174.900 0.204 0.000 1.245 317 G CA -0.848 44.380 45.100 0.212 0.000 0.935 317 G HN 0.400 nan 8.290 nan 0.000 0.476 318 V N 1.313 121.258 119.914 0.051 0.000 2.495 318 V HA 0.647 4.767 4.120 -0.000 0.000 0.298 318 V C 0.804 176.907 176.094 0.015 0.000 1.031 318 V CA -0.565 61.701 62.300 -0.057 0.000 0.871 318 V CB 1.925 33.572 31.823 -0.293 0.000 0.988 318 V HN 0.911 nan 8.190 nan 0.000 0.432 319 G N 3.279 112.107 108.800 0.047 0.000 2.770 319 G HA2 0.371 4.331 3.960 -0.000 0.000 0.307 319 G HA3 0.371 4.331 3.960 -0.000 0.000 0.307 319 G C 0.835 175.751 174.900 0.027 0.000 0.863 319 G CA -0.173 44.964 45.100 0.061 0.000 1.595 319 G HN 0.566 nan 8.290 nan 0.000 0.496 320 V N 2.408 122.303 119.914 -0.032 0.000 2.255 320 V HA -0.258 3.861 4.120 -0.000 0.000 0.247 320 V C 3.099 179.150 176.094 -0.072 0.000 1.051 320 V CA 2.717 64.960 62.300 -0.096 0.000 1.018 320 V CB -0.632 31.067 31.823 -0.206 0.000 0.641 320 V HN 0.764 nan 8.190 nan 0.000 0.445 321 S N 0.605 116.274 115.700 -0.051 0.000 2.387 321 S HA -0.236 4.233 4.470 -0.000 0.000 0.226 321 S C 2.070 176.808 174.600 0.229 0.000 1.026 321 S CA 1.389 59.643 58.200 0.091 0.000 0.972 321 S CB -0.581 62.797 63.200 0.295 0.000 0.814 321 S HN 0.583 nan 8.310 nan 0.000 0.477 322 R N 1.096 121.690 120.500 0.156 0.000 2.127 322 R HA 0.046 4.386 4.340 -0.000 0.000 0.238 322 R C 2.171 178.523 176.300 0.088 0.000 1.134 322 R CA 1.172 57.335 56.100 0.106 0.000 0.975 322 R CB -0.532 29.791 30.300 0.037 0.000 0.865 322 R HN 0.458 nan 8.270 nan 0.000 0.447 323 L N 0.626 121.897 121.223 0.079 0.000 2.131 323 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 323 L C 2.138 179.094 176.870 0.142 0.000 1.092 323 L CA 0.787 55.676 54.840 0.082 0.000 0.759 323 L CB -0.255 41.849 42.059 0.075 0.000 0.903 323 L HN 0.220 nan 8.230 nan 0.000 0.435 324 L N -0.498 120.840 121.223 0.192 0.000 2.012 324 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 324 L C 2.614 179.637 176.870 0.254 0.000 1.073 324 L CA 2.042 57.065 54.840 0.305 0.000 0.748 324 L CB -1.355 40.942 42.059 0.396 0.000 0.891 324 L HN 0.231 nan 8.230 nan 0.000 0.431 325 G N -1.123 107.777 108.800 0.167 0.000 2.421 325 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.216 325 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.216 325 G C 1.729 176.658 174.900 0.047 0.000 1.171 325 G CA 0.847 45.996 45.100 0.082 0.000 0.775 325 G HN 0.491 nan 8.290 nan 0.000 0.543 326 A N 0.645 123.490 122.820 0.042 0.000 1.902 326 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 326 A C 2.417 180.024 177.584 0.038 0.000 1.181 326 A CA 1.397 53.441 52.037 0.012 0.000 0.623 326 A CB -0.378 18.609 19.000 -0.021 0.000 0.818 326 A HN 0.385 nan 8.150 nan 0.000 0.443 327 I N -0.406 120.221 120.570 0.096 0.000 2.179 327 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 327 I C 2.280 178.424 176.117 0.045 0.000 1.088 327 I CA 1.444 62.821 61.300 0.127 0.000 1.357 327 I CB -0.282 37.890 38.000 0.286 0.000 1.051 327 I HN 0.304 nan 8.210 nan 0.000 0.409 328 I N 0.139 120.706 120.570 -0.004 0.000 2.252 328 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 328 I C 2.488 178.614 176.117 0.015 0.000 1.102 328 I CA 1.048 62.276 61.300 -0.119 0.000 1.385 328 I CB -0.454 37.441 38.000 -0.175 0.000 1.064 328 I HN 0.207 nan 8.210 nan 0.000 0.414 329 E N 1.037 121.245 120.200 0.014 0.000 2.097 329 E HA -0.237 4.112 4.350 -0.000 0.000 0.196 329 E C 2.252 178.957 176.600 0.175 0.000 1.000 329 E CA 1.698 58.136 56.400 0.063 0.000 0.804 329 E CB -0.267 29.428 29.700 -0.007 0.000 0.740 329 E HN 0.545 nan 8.360 nan 0.000 0.454 330 A N -0.340 122.525 122.820 0.075 0.000 2.123 330 A HA -0.001 4.319 4.320 -0.000 0.000 0.214 330 A C 1.165 178.736 177.584 -0.022 0.000 1.152 330 A CA 0.297 52.345 52.037 0.019 0.000 0.728 330 A CB 0.300 19.307 19.000 0.012 0.000 0.814 330 A HN 0.245 nan 8.150 nan 0.000 0.464 331 C N 1.675 120.978 119.300 0.005 0.000 3.328 331 C HA 0.608 5.067 4.460 -0.000 0.000 0.230 331 C C -0.606 174.340 174.990 -0.072 0.000 1.232 331 C CA -0.735 58.241 59.018 -0.070 0.000 1.431 331 C CB -1.095 26.610 27.740 -0.059 0.000 1.818 331 C HN 0.667 nan 8.230 nan 0.000 0.484 332 H N -0.114 118.871 119.070 -0.142 0.000 2.981 332 H HA 0.774 5.330 4.556 -0.000 0.000 0.327 332 H C -1.891 173.377 175.328 -0.100 0.000 1.342 332 H CA -0.485 55.475 56.048 -0.147 0.000 1.123 332 H CB 1.598 31.273 29.762 -0.145 0.000 1.851 332 H HN 0.395 nan 8.280 nan 0.000 0.531 333 D N -0.299 120.089 120.400 -0.020 0.000 2.867 333 D HA 0.125 4.765 4.640 -0.000 0.000 0.308 333 D C 0.086 176.428 176.300 0.069 0.000 1.202 333 D CA -0.508 53.467 54.000 -0.043 0.000 1.035 333 D CB 0.266 41.021 40.800 -0.074 0.000 1.427 333 D HN 0.309 nan 8.370 nan 0.000 0.570 334 D N -1.054 119.363 120.400 0.029 0.000 2.263 334 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 334 D C 0.669 176.981 176.300 0.020 0.000 0.971 334 D CA 1.011 55.030 54.000 0.031 0.000 0.867 334 D CB -0.359 40.447 40.800 0.011 0.000 0.929 334 D HN 0.408 nan 8.370 nan 0.000 0.492 335 N N -0.551 118.156 118.700 0.012 0.000 2.336 335 N HA 0.311 5.051 4.740 -0.000 0.000 0.189 335 N C 0.868 176.383 175.510 0.008 0.000 1.113 335 N CA 0.363 53.420 53.050 0.011 0.000 0.858 335 N CB 1.243 39.735 38.487 0.009 0.000 0.970 335 N HN 0.149 nan 8.380 nan 0.000 0.471 336 G N 0.326 109.128 108.800 0.004 0.000 2.236 336 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.231 336 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.231 336 G C -1.191 173.679 174.900 -0.049 0.000 1.334 336 G CA -0.992 44.097 45.100 -0.019 0.000 1.137 336 G HN 0.012 nan 8.290 nan 0.000 0.482 337 I N 0.946 121.438 120.570 -0.131 0.000 2.662 337 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 337 I C 0.172 176.118 176.117 -0.285 0.000 1.046 337 I CA -0.224 60.890 61.300 -0.310 0.000 1.361 337 I CB 1.052 38.689 38.000 -0.606 0.000 1.429 337 I HN 0.325 nan 8.210 nan 0.000 0.558 338 I N 4.270 124.645 120.570 -0.325 0.000 2.595 338 I HA 0.185 4.355 4.170 -0.000 0.000 0.275 338 I C -0.986 175.035 176.117 -0.159 0.000 1.092 338 I CA -0.317 60.866 61.300 -0.196 0.000 1.145 338 I CB 0.333 38.259 38.000 -0.125 0.000 1.276 338 I HN 0.486 nan 8.210 nan 0.000 0.497 339 W N 6.612 127.931 121.300 0.031 0.000 2.251 339 W HA 0.213 4.873 4.660 -0.000 0.000 0.327 339 W C -1.941 174.588 176.519 0.016 0.000 1.361 339 W CA -1.431 55.936 57.345 0.036 0.000 1.234 339 W CB 0.004 29.497 29.460 0.056 0.000 1.212 339 W HN 0.180 nan 8.180 nan 0.000 0.557 340 P HA -0.092 nan 4.420 nan 0.000 0.266 340 P C 0.599 178.008 177.300 0.182 0.000 1.195 340 P CA 0.312 63.523 63.100 0.185 0.000 0.768 340 P CB 0.694 32.490 31.700 0.161 0.000 0.838 341 E N 2.111 122.391 120.200 0.134 0.000 2.171 341 E HA -0.252 4.097 4.350 -0.000 0.000 0.197 341 E C 1.793 178.442 176.600 0.081 0.000 0.997 341 E CA 1.577 58.054 56.400 0.128 0.000 0.810 341 E CB -0.222 29.563 29.700 0.142 0.000 0.738 341 E HN 0.524 nan 8.360 nan 0.000 0.467 342 A N 0.711 123.569 122.820 0.063 0.000 2.067 342 A HA -0.104 4.215 4.320 -0.000 0.000 0.219 342 A C 2.228 179.796 177.584 -0.027 0.000 1.158 342 A CA 1.427 53.475 52.037 0.019 0.000 0.661 342 A CB -0.127 18.884 19.000 0.018 0.000 0.801 342 A HN 0.242 nan 8.150 nan 0.000 0.452 343 V N -4.439 115.462 119.914 -0.023 0.000 3.528 343 V HA 0.643 4.763 4.120 -0.000 0.000 0.294 343 V C 0.934 176.831 176.094 -0.327 0.000 1.404 343 V CA -0.096 62.121 62.300 -0.138 0.000 1.065 343 V CB -0.987 30.786 31.823 -0.083 0.000 0.904 343 V HN 0.535 nan 8.190 nan 0.000 0.435 344 A N 2.769 125.474 122.820 -0.192 0.000 2.531 344 A HA 0.439 4.759 4.320 -0.000 0.000 0.236 344 A C -0.433 176.940 177.584 -0.352 0.000 1.062 344 A CA -0.107 51.762 52.037 -0.281 0.000 0.760 344 A CB -0.136 18.906 19.000 0.071 0.000 0.995 344 A HN 0.436 nan 8.150 nan 0.000 0.501 345 P HA 0.015 nan 4.420 nan 0.000 0.220 345 P C -0.155 176.770 177.300 -0.626 0.000 1.152 345 P CA 1.182 64.021 63.100 -0.434 0.000 0.812 345 P CB 0.077 31.637 31.700 -0.233 0.000 0.792 346 F N -2.003 117.948 119.950 0.002 0.000 2.613 346 F HA 0.464 4.991 4.527 -0.000 0.000 0.310 346 F C 1.697 177.558 175.800 0.101 0.000 1.085 346 F CA -0.963 57.067 58.000 0.050 0.000 0.945 346 F CB 1.636 40.677 39.000 0.067 0.000 1.298 346 F HN -0.432 nan 8.300 nan 0.000 0.455 347 R N 0.551 121.232 120.500 0.302 0.000 2.100 347 R HA 0.286 4.625 4.340 -0.000 0.000 0.220 347 R C -0.628 175.892 176.300 0.367 0.000 1.091 347 R CA 0.797 57.073 56.100 0.293 0.000 0.986 347 R CB 0.532 30.971 30.300 0.231 0.000 0.888 347 R HN 0.441 nan 8.270 nan 0.000 0.444 348 V N -0.167 119.939 119.914 0.319 0.000 2.925 348 V HA 0.423 4.543 4.120 -0.000 0.000 0.311 348 V C -1.418 174.814 176.094 0.231 0.000 1.104 348 V CA -0.541 61.935 62.300 0.295 0.000 0.954 348 V CB 2.176 34.127 31.823 0.214 0.000 1.022 348 V HN 0.128 nan 8.190 nan 0.000 0.427 349 T N 6.469 121.152 114.554 0.216 0.000 2.841 349 T HA 0.650 5.000 4.350 -0.000 0.000 0.283 349 T C -0.800 174.011 174.700 0.186 0.000 1.000 349 T CA -0.396 61.801 62.100 0.160 0.000 0.977 349 T CB 0.836 69.788 68.868 0.141 0.000 0.979 349 T HN 0.583 nan 8.240 nan 0.000 0.446 350 I N 5.697 126.372 120.570 0.175 0.000 2.304 350 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 350 I C -0.183 176.084 176.117 0.250 0.000 1.018 350 I CA -0.567 60.833 61.300 0.166 0.000 1.260 350 I CB 1.062 39.067 38.000 0.008 0.000 1.390 350 I HN 0.405 nan 8.210 nan 0.000 0.475 351 L N 6.395 127.764 121.223 0.242 0.000 2.270 351 L HA 0.321 4.660 4.340 -0.000 0.000 0.286 351 L C 0.162 177.133 176.870 0.168 0.000 1.059 351 L CA -0.461 54.501 54.840 0.202 0.000 0.839 351 L CB 0.382 42.569 42.059 0.213 0.000 1.221 351 L HN 0.573 nan 8.230 nan 0.000 0.431 352 N N 4.212 123.028 118.700 0.194 0.000 2.401 352 N HA 0.144 4.884 4.740 -0.000 0.000 0.255 352 N C 0.450 175.982 175.510 0.037 0.000 1.110 352 N CA -0.074 53.070 53.050 0.156 0.000 0.949 352 N CB 1.152 39.810 38.487 0.285 0.000 1.110 352 N HN 0.584 nan 8.380 nan 0.000 0.490 353 L N 2.336 123.569 121.223 0.018 0.000 2.592 353 L HA 0.213 4.553 4.340 -0.000 0.000 0.227 353 L C 0.847 177.697 176.870 -0.035 0.000 1.127 353 L CA 0.244 55.055 54.840 -0.049 0.000 0.884 353 L CB -0.032 42.017 42.059 -0.017 0.000 1.065 353 L HN 0.444 nan 8.230 nan 0.000 0.457 354 K N 0.966 121.364 120.400 -0.004 0.000 3.050 354 K HA 0.150 4.470 4.320 -0.000 0.000 0.185 354 K C -0.490 176.114 176.600 0.006 0.000 1.147 354 K CA -0.386 55.899 56.287 -0.004 0.000 0.916 354 K CB 0.735 33.239 32.500 0.007 0.000 1.119 354 K HN -0.163 nan 8.250 nan 0.000 0.605 355 Q N 0.504 120.301 119.800 -0.005 0.000 2.244 355 Q HA 0.215 4.554 4.340 -0.000 0.000 0.278 355 Q C 0.903 176.903 176.000 -0.001 0.000 1.093 355 Q CA 2.198 58.001 55.803 0.000 0.000 0.916 355 Q CB 0.657 29.376 28.738 -0.031 0.000 1.159 355 Q HN 0.787 nan 8.270 nan 0.000 0.384 356 G N 3.477 112.285 108.800 0.012 0.000 2.316 356 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.203 356 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.203 356 G C -0.211 174.698 174.900 0.015 0.000 0.999 356 G CA -0.196 44.909 45.100 0.009 0.000 0.649 356 G HN 0.692 nan 8.290 nan 0.000 0.489 357 D N 1.261 121.671 120.400 0.018 0.000 2.401 357 D HA 0.615 5.255 4.640 -0.000 0.000 0.254 357 D C 1.683 177.997 176.300 0.023 0.000 1.192 357 D CA 1.021 55.032 54.000 0.018 0.000 0.885 357 D CB 0.984 41.795 40.800 0.018 0.000 1.147 357 D HN 0.574 nan 8.370 nan 0.000 0.478 358 A N 4.161 126.993 122.820 0.019 0.000 1.927 358 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 358 A C 2.109 179.706 177.584 0.021 0.000 1.185 358 A CA 2.239 54.288 52.037 0.020 0.000 0.639 358 A CB -0.925 18.084 19.000 0.015 0.000 0.820 358 A HN 0.698 nan 8.150 nan 0.000 0.451 359 A N -0.906 121.925 122.820 0.018 0.000 1.930 359 A HA 0.018 4.337 4.320 -0.000 0.000 0.215 359 A C 2.433 180.027 177.584 0.017 0.000 1.176 359 A CA 2.238 54.284 52.037 0.016 0.000 0.632 359 A CB -1.209 17.799 19.000 0.014 0.000 0.819 359 A HN 0.798 nan 8.150 nan 0.000 0.445 360 T N -1.883 112.686 114.554 0.024 0.000 2.777 360 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 360 T C 1.354 176.076 174.700 0.036 0.000 1.040 360 T CA 1.635 63.753 62.100 0.030 0.000 1.141 360 T CB -0.530 68.362 68.868 0.039 0.000 0.868 360 T HN 0.298 nan 8.240 nan 0.000 0.444 361 D N 2.249 122.681 120.400 0.053 0.000 2.092 361 D HA 0.013 4.653 4.640 -0.000 0.000 0.193 361 D C 2.536 178.860 176.300 0.039 0.000 0.994 361 D CA 1.707 55.756 54.000 0.081 0.000 0.828 361 D CB -0.859 39.988 40.800 0.077 0.000 0.963 361 D HN 0.578 nan 8.370 nan 0.000 0.450 362 A N 0.822 123.656 122.820 0.024 0.000 1.908 362 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 362 A C 2.291 179.867 177.584 -0.013 0.000 1.181 362 A CA 2.471 54.514 52.037 0.010 0.000 0.627 362 A CB -0.874 18.132 19.000 0.011 0.000 0.818 362 A HN 0.247 nan 8.150 nan 0.000 0.445 363 A N -1.206 121.602 122.820 -0.020 0.000 1.930 363 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 363 A C 2.314 179.847 177.584 -0.087 0.000 1.175 363 A CA 1.646 53.661 52.037 -0.037 0.000 0.627 363 A CB -1.193 17.795 19.000 -0.021 0.000 0.815 363 A HN 0.595 nan 8.150 nan 0.000 0.443 364 C N -0.537 118.677 119.300 -0.142 0.000 2.453 364 C HA -0.075 4.385 4.460 -0.000 0.000 0.277 364 C C 2.388 177.133 174.990 -0.410 0.000 1.262 364 C CA 1.019 59.812 59.018 -0.375 0.000 1.718 364 C CB -1.130 26.278 27.740 -0.553 0.000 2.031 364 C HN 0.603 nan 8.230 nan 0.000 0.480 365 D N 0.454 120.731 120.400 -0.205 0.000 2.133 365 D HA -0.186 4.453 4.640 -0.000 0.000 0.195 365 D C 2.256 178.565 176.300 0.015 0.000 0.997 365 D CA 1.811 55.796 54.000 -0.025 0.000 0.840 365 D CB -0.559 40.270 40.800 0.049 0.000 0.947 365 D HN 0.788 nan 8.370 nan 0.000 0.452 366 Q N -0.027 119.757 119.800 -0.026 0.000 2.212 366 Q HA 0.013 4.353 4.340 -0.000 0.000 0.199 366 Q C 2.232 178.211 176.000 -0.036 0.000 0.950 366 Q CA 0.520 56.310 55.803 -0.022 0.000 0.863 366 Q CB -0.391 28.334 28.738 -0.022 0.000 0.944 366 Q HN 0.230 nan 8.270 nan 0.000 0.465 367 L N -0.105 121.087 121.223 -0.052 0.000 2.131 367 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 367 L C 2.432 179.291 176.870 -0.020 0.000 1.092 367 L CA 1.323 56.134 54.840 -0.049 0.000 0.759 367 L CB -0.412 41.608 42.059 -0.066 0.000 0.903 367 L HN 0.322 nan 8.230 nan 0.000 0.435 368 Y N 0.793 120.999 120.300 -0.157 0.000 2.184 368 Y HA -0.164 4.385 4.550 -0.000 0.000 0.290 368 Y C 2.721 178.567 175.900 -0.090 0.000 1.129 368 Y CA 1.285 59.315 58.100 -0.117 0.000 1.144 368 Y CB -0.140 38.242 38.460 -0.131 0.000 0.995 368 Y HN -0.047 nan 8.280 nan 0.000 0.513 369 R N 0.292 120.697 120.500 -0.159 0.000 2.073 369 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 369 R C 2.186 178.368 176.300 -0.197 0.000 1.134 369 R CA 1.936 57.894 56.100 -0.237 0.000 0.952 369 R CB -0.423 29.817 30.300 -0.099 0.000 0.850 369 R HN 0.474 nan 8.270 nan 0.000 0.433 370 E N 0.759 120.887 120.200 -0.120 0.000 2.051 370 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 370 E C 2.131 178.671 176.600 -0.100 0.000 0.991 370 E CA 1.050 57.393 56.400 -0.094 0.000 0.799 370 E CB -0.106 29.555 29.700 -0.065 0.000 0.748 370 E HN 0.251 nan 8.360 nan 0.000 0.449 371 L N 0.783 121.946 121.223 -0.101 0.000 2.046 371 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 371 L C 2.541 179.356 176.870 -0.092 0.000 1.077 371 L CA 0.946 55.739 54.840 -0.078 0.000 0.747 371 L CB -0.346 41.690 42.059 -0.039 0.000 0.896 371 L HN 0.075 nan 8.230 nan 0.000 0.432 372 S N 0.218 115.806 115.700 -0.186 0.000 2.359 372 S HA -0.311 4.159 4.470 -0.000 0.000 0.222 372 S C 2.228 176.767 174.600 -0.101 0.000 1.038 372 S CA 1.444 59.535 58.200 -0.180 0.000 1.051 372 S CB -0.680 62.234 63.200 -0.477 0.000 0.944 372 S HN 0.525 nan 8.310 nan 0.000 0.433 373 A N 2.129 124.872 122.820 -0.128 0.000 1.903 373 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 373 A C 1.857 179.412 177.584 -0.048 0.000 1.191 373 A CA 1.652 53.642 52.037 -0.078 0.000 0.638 373 A CB -0.486 18.465 19.000 -0.081 0.000 0.823 373 A HN 0.347 nan 8.150 nan 0.000 0.451 374 K N -0.907 119.464 120.400 -0.049 0.000 2.589 374 K HA 0.110 4.430 4.320 -0.000 0.000 0.192 374 K C 1.024 177.612 176.600 -0.021 0.000 1.029 374 K CA 0.734 57.001 56.287 -0.035 0.000 1.031 374 K CB -0.710 31.765 32.500 -0.041 0.000 0.821 374 K HN 0.971 nan 8.250 nan 0.000 0.502 375 G N 1.131 109.924 108.800 -0.012 0.000 2.182 375 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.248 375 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.248 375 G C -0.084 174.826 174.900 0.017 0.000 1.042 375 G CA 0.040 45.143 45.100 0.006 0.000 0.775 375 G HN 0.130 nan 8.290 nan 0.000 0.501 376 V N 0.723 120.650 119.914 0.022 0.000 2.427 376 V HA 0.355 4.474 4.120 -0.000 0.000 0.286 376 V C 0.106 176.257 176.094 0.096 0.000 1.034 376 V CA -0.967 61.361 62.300 0.047 0.000 0.893 376 V CB 1.659 33.499 31.823 0.029 0.000 0.982 376 V HN 0.271 nan 8.190 nan 0.000 0.452 377 D N 3.579 124.050 120.400 0.118 0.000 2.368 377 D HA 0.197 4.836 4.640 -0.000 0.000 0.268 377 D C -0.291 176.212 176.300 0.338 0.000 1.298 377 D CA 0.648 54.768 54.000 0.199 0.000 0.938 377 D CB 1.207 42.066 40.800 0.099 0.000 1.101 377 D HN 0.291 nan 8.370 nan 0.000 0.509 378 V N 4.287 124.433 119.914 0.387 0.000 2.588 378 V HA 0.496 4.616 4.120 -0.000 0.000 0.304 378 V C -1.271 174.932 176.094 0.182 0.000 1.042 378 V CA -0.910 61.565 62.300 0.292 0.000 0.877 378 V CB 1.951 33.896 31.823 0.203 0.000 0.996 378 V HN 0.334 nan 8.190 nan 0.000 0.425 379 L N 7.373 128.533 121.223 -0.104 0.000 2.322 379 L HA 0.614 4.954 4.340 -0.000 0.000 0.281 379 L C -1.428 175.419 176.870 -0.039 0.000 1.014 379 L CA -0.372 54.221 54.840 -0.411 0.000 0.815 379 L CB 1.616 43.092 42.059 -0.972 0.000 1.247 379 L HN 0.754 nan 8.230 nan 0.000 0.421 380 Y N 4.429 124.581 120.300 -0.246 0.000 2.369 380 Y HA 0.343 4.893 4.550 -0.000 0.000 0.337 380 Y C -0.459 175.318 175.900 -0.205 0.000 0.961 380 Y CA -1.640 56.318 58.100 -0.237 0.000 1.186 380 Y CB 0.685 38.852 38.460 -0.489 0.000 1.139 380 Y HN 0.696 nan 8.280 nan 0.000 0.494 381 D N 5.248 125.668 120.400 0.033 0.000 2.455 381 D HA 0.015 4.655 4.640 -0.000 0.000 0.234 381 D C 0.033 176.127 176.300 -0.342 0.000 1.224 381 D CA 0.182 54.103 54.000 -0.132 0.000 0.999 381 D CB 0.099 40.889 40.800 -0.016 0.000 1.072 381 D HN 0.683 nan 8.370 nan 0.000 0.514 382 D N 1.351 121.301 120.400 -0.749 0.000 2.427 382 D HA -0.028 4.611 4.640 -0.000 0.000 0.224 382 D C 0.471 176.549 176.300 -0.370 0.000 1.157 382 D CA -0.379 53.102 54.000 -0.865 0.000 0.828 382 D CB -0.460 39.553 40.800 -1.311 0.000 0.974 382 D HN 0.262 nan 8.370 nan 0.000 0.498 383 T N -2.163 112.247 114.554 -0.240 0.000 2.868 383 T HA 0.162 4.512 4.350 -0.000 0.000 0.292 383 T C 0.112 174.748 174.700 -0.107 0.000 1.028 383 T CA -0.749 61.266 62.100 -0.143 0.000 1.059 383 T CB 1.590 70.398 68.868 -0.100 0.000 0.991 383 T HN -0.120 nan 8.240 nan 0.000 0.531 384 D N 1.327 121.680 120.400 -0.079 0.000 2.558 384 D HA 0.215 4.855 4.640 -0.000 0.000 0.221 384 D C -0.198 176.067 176.300 -0.059 0.000 1.143 384 D CA -0.024 53.939 54.000 -0.061 0.000 1.010 384 D CB -0.302 40.471 40.800 -0.047 0.000 1.068 384 D HN 0.511 nan 8.370 nan 0.000 0.511 385 Q N 1.178 120.935 119.800 -0.073 0.000 2.418 385 Q HA 0.416 4.755 4.340 -0.000 0.000 0.282 385 Q C -0.347 175.591 176.000 -0.103 0.000 1.044 385 Q CA -1.020 54.736 55.803 -0.079 0.000 0.813 385 Q CB 2.176 30.866 28.738 -0.080 0.000 1.428 385 Q HN 0.242 nan 8.270 nan 0.000 0.402 386 R N 0.011 120.446 120.500 -0.108 0.000 2.615 386 R HA 0.300 4.640 4.340 -0.000 0.000 0.270 386 R C 1.030 177.187 176.300 -0.239 0.000 1.081 386 R CA 0.440 56.458 56.100 -0.136 0.000 1.154 386 R CB 0.356 30.596 30.300 -0.100 0.000 1.063 386 R HN 0.827 nan 8.270 nan 0.000 0.519 387 A N 2.002 124.630 122.820 -0.319 0.000 1.903 387 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 387 A C 2.225 179.259 177.584 -0.916 0.000 1.191 387 A CA 2.245 53.872 52.037 -0.683 0.000 0.638 387 A CB -1.478 17.187 19.000 -0.557 0.000 0.823 387 A HN 0.949 nan 8.150 nan 0.000 0.451 388 G N -0.866 107.694 108.800 -0.400 0.000 2.440 388 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.218 388 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.218 388 G C 1.752 176.584 174.900 -0.114 0.000 1.154 388 G CA 1.690 46.710 45.100 -0.133 0.000 0.767 388 G HN 0.910 nan 8.290 nan 0.000 0.552 389 A N 0.767 123.498 122.820 -0.147 0.000 1.873 389 A HA 0.020 4.340 4.320 -0.000 0.000 0.215 389 A C 2.322 179.848 177.584 -0.096 0.000 1.186 389 A CA 1.914 53.897 52.037 -0.091 0.000 0.616 389 A CB -0.351 18.598 19.000 -0.085 0.000 0.823 389 A HN 0.362 nan 8.150 nan 0.000 0.442 390 K N -1.147 119.135 120.400 -0.196 0.000 2.057 390 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 390 K C 1.705 178.283 176.600 -0.036 0.000 1.049 390 K CA 1.549 57.742 56.287 -0.157 0.000 0.931 390 K CB -0.423 31.930 32.500 -0.244 0.000 0.714 390 K HN 0.456 nan 8.250 nan 0.000 0.440 391 F N 1.171 121.087 119.950 -0.058 0.000 2.095 391 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 391 F C 2.606 178.405 175.800 -0.001 0.000 1.104 391 F CA 0.934 58.904 58.000 -0.050 0.000 1.232 391 F CB -1.283 37.674 39.000 -0.073 0.000 0.987 391 F HN 0.029 nan 8.300 nan 0.000 0.475 392 A N -0.435 122.492 122.820 0.179 0.000 1.877 392 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 392 A C 2.304 179.939 177.584 0.085 0.000 1.186 392 A CA 2.360 54.462 52.037 0.107 0.000 0.620 392 A CB -1.346 17.693 19.000 0.065 0.000 0.822 392 A HN 0.366 nan 8.150 nan 0.000 0.443 393 T N 0.128 114.725 114.554 0.071 0.000 2.777 393 T HA 0.011 4.361 4.350 -0.000 0.000 0.266 393 T C 2.237 176.999 174.700 0.103 0.000 1.040 393 T CA 1.548 63.690 62.100 0.069 0.000 1.141 393 T CB -0.438 68.457 68.868 0.045 0.000 0.868 393 T HN 0.595 nan 8.240 nan 0.000 0.444 394 A N 1.939 124.836 122.820 0.127 0.000 1.877 394 A HA -0.160 4.159 4.320 -0.000 0.000 0.216 394 A C 2.110 179.781 177.584 0.146 0.000 1.186 394 A CA 1.842 53.974 52.037 0.159 0.000 0.620 394 A CB -0.698 18.426 19.000 0.206 0.000 0.822 394 A HN 0.346 nan 8.150 nan 0.000 0.443 395 D N -0.418 120.058 120.400 0.127 0.000 2.097 395 D HA -0.138 4.501 4.640 -0.000 0.000 0.195 395 D C 1.869 178.204 176.300 0.058 0.000 0.989 395 D CA 1.383 55.432 54.000 0.082 0.000 0.827 395 D CB -0.519 40.321 40.800 0.067 0.000 0.966 395 D HN 0.344 nan 8.370 nan 0.000 0.456 396 L N 1.405 122.666 121.223 0.064 0.000 1.989 396 L HA -0.136 4.203 4.340 -0.000 0.000 0.211 396 L C 2.094 178.999 176.870 0.059 0.000 1.071 396 L CA 1.593 56.460 54.840 0.045 0.000 0.749 396 L CB -0.732 41.356 42.059 0.048 0.000 0.890 396 L HN 0.202 nan 8.230 nan 0.000 0.431 397 I N -3.549 117.097 120.570 0.127 0.000 3.111 397 I HA 0.268 4.438 4.170 -0.000 0.000 0.272 397 I C 1.481 177.779 176.117 0.302 0.000 1.268 397 I CA 0.688 62.126 61.300 0.230 0.000 1.467 397 I CB -0.808 37.357 38.000 0.275 0.000 1.087 397 I HN 0.438 nan 8.210 nan 0.000 0.467 398 G N 2.219 111.122 108.800 0.170 0.000 2.137 398 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.237 398 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.237 398 G C 0.014 175.102 174.900 0.314 0.000 1.002 398 G CA -0.047 45.114 45.100 0.101 0.000 0.702 398 G HN 0.324 nan 8.290 nan 0.000 0.515 399 I N 0.589 121.351 120.570 0.319 0.000 2.668 399 I HA 0.102 4.271 4.170 -0.000 0.000 0.285 399 I C -0.279 175.948 176.117 0.185 0.000 1.168 399 I CA -2.079 59.407 61.300 0.310 0.000 1.424 399 I CB 0.443 38.617 38.000 0.290 0.000 1.377 399 I HN -0.105 nan 8.210 nan 0.000 0.560 400 P HA -0.141 nan 4.420 nan 0.000 0.216 400 P C -0.602 176.476 177.300 -0.370 0.000 1.150 400 P CA 1.537 64.572 63.100 -0.107 0.000 0.843 400 P CB 0.181 31.864 31.700 -0.029 0.000 0.787 401 W N -0.971 120.393 121.300 0.106 0.000 2.819 401 W HA 0.478 5.137 4.660 -0.000 0.000 0.337 401 W C -0.380 176.191 176.519 0.086 0.000 1.077 401 W CA -0.604 56.784 57.345 0.072 0.000 1.226 401 W CB 1.398 30.893 29.460 0.057 0.000 1.419 401 W HN -0.326 nan 8.180 nan 0.000 0.502 402 Q N 2.759 122.738 119.800 0.299 0.000 2.353 402 Q HA 0.625 4.965 4.340 -0.000 0.000 0.268 402 Q C -0.870 175.208 176.000 0.130 0.000 1.045 402 Q CA -0.904 55.038 55.803 0.231 0.000 0.811 402 Q CB 2.686 31.588 28.738 0.274 0.000 1.305 402 Q HN 0.392 nan 8.270 nan 0.000 0.447 403 I N 2.412 123.088 120.570 0.176 0.000 2.355 403 I HA 0.282 4.452 4.170 -0.000 0.000 0.288 403 I C -0.529 175.744 176.117 0.260 0.000 0.999 403 I CA -0.558 60.810 61.300 0.113 0.000 1.163 403 I CB 0.888 38.935 38.000 0.079 0.000 1.316 403 I HN 0.525 nan 8.210 nan 0.000 0.454 404 H N 5.396 124.547 119.070 0.134 0.000 2.594 404 H HA 0.463 5.019 4.556 -0.000 0.000 0.304 404 H C -0.789 174.608 175.328 0.116 0.000 1.068 404 H CA -0.947 55.204 56.048 0.171 0.000 1.308 404 H CB 1.541 31.434 29.762 0.219 0.000 1.409 404 H HN 0.254 nan 8.280 nan 0.000 0.460 405 V N 3.566 123.610 119.914 0.216 0.000 2.378 405 V HA 0.588 4.708 4.120 -0.000 0.000 0.288 405 V C 0.464 176.619 176.094 0.102 0.000 1.016 405 V CA -0.621 61.750 62.300 0.119 0.000 0.840 405 V CB 1.455 33.315 31.823 0.061 0.000 0.994 405 V HN 0.974 nan 8.190 nan 0.000 0.431 406 G N 4.341 113.194 108.800 0.088 0.000 2.695 406 G HA2 0.638 4.598 3.960 -0.000 0.000 0.290 406 G HA3 0.638 4.598 3.960 -0.000 0.000 0.290 406 G C -2.591 172.340 174.900 0.052 0.000 1.410 406 G CA -1.210 43.932 45.100 0.070 0.000 0.844 406 G HN 0.422 nan 8.290 nan 0.000 0.478 407 P HA -0.101 nan 4.420 nan 0.000 0.215 407 P C 1.886 179.206 177.300 0.034 0.000 1.157 407 P CA 1.085 64.204 63.100 0.032 0.000 0.874 407 P CB 0.239 31.954 31.700 0.026 0.000 0.790 408 R N -0.911 119.613 120.500 0.041 0.000 2.081 408 R HA -0.038 4.301 4.340 -0.000 0.000 0.235 408 R C 2.542 178.866 176.300 0.041 0.000 1.131 408 R CA 1.639 57.763 56.100 0.040 0.000 0.960 408 R CB -1.245 29.082 30.300 0.045 0.000 0.856 408 R HN 0.231 nan 8.270 nan 0.000 0.436 409 G N 0.700 109.531 108.800 0.052 0.000 2.414 409 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.215 409 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.215 409 G C 1.160 176.081 174.900 0.035 0.000 1.188 409 G CA 0.320 45.449 45.100 0.049 0.000 0.783 409 G HN 0.067 nan 8.290 nan 0.000 0.537 410 L N 1.562 122.805 121.223 0.034 0.000 2.131 410 L HA 0.072 4.411 4.340 -0.000 0.000 0.210 410 L C 3.246 180.127 176.870 0.019 0.000 1.092 410 L CA 1.278 56.133 54.840 0.024 0.000 0.759 410 L CB -1.081 40.992 42.059 0.023 0.000 0.903 410 L HN 0.308 nan 8.230 nan 0.000 0.435 411 A N -0.828 122.004 122.820 0.021 0.000 1.948 411 A HA -0.221 4.098 4.320 -0.000 0.000 0.220 411 A C 2.050 179.643 177.584 0.015 0.000 1.177 411 A CA 1.722 53.769 52.037 0.017 0.000 0.636 411 A CB -0.424 18.587 19.000 0.018 0.000 0.815 411 A HN 0.552 nan 8.150 nan 0.000 0.449 412 E N -1.462 118.748 120.200 0.017 0.000 2.465 412 E HA 0.273 4.622 4.350 -0.000 0.000 0.191 412 E C 0.988 177.595 176.600 0.011 0.000 1.053 412 E CA 0.204 56.612 56.400 0.014 0.000 0.869 412 E CB -0.141 29.569 29.700 0.016 0.000 0.977 412 E HN 0.741 nan 8.360 nan 0.000 0.483 413 G N 2.341 111.148 108.800 0.011 0.000 2.179 413 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.257 413 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.257 413 G C 0.056 174.960 174.900 0.008 0.000 1.010 413 G CA 0.674 45.779 45.100 0.008 0.000 0.736 413 G HN 0.172 nan 8.290 nan 0.000 0.513 414 K N -0.765 119.643 120.400 0.014 0.000 2.221 414 K HA 0.778 5.098 4.320 -0.000 0.000 0.243 414 K C 0.301 176.916 176.600 0.025 0.000 0.968 414 K CA -0.436 55.860 56.287 0.016 0.000 0.846 414 K CB 2.735 35.246 32.500 0.018 0.000 1.141 414 K HN 0.590 nan 8.250 nan 0.000 0.434 415 V N -2.230 117.697 119.914 0.022 0.000 3.102 415 V HA 0.529 4.649 4.120 -0.000 0.000 0.312 415 V C -1.013 175.098 176.094 0.028 0.000 1.135 415 V CA -0.889 61.433 62.300 0.036 0.000 1.022 415 V CB 1.889 33.728 31.823 0.027 0.000 1.056 415 V HN 0.841 nan 8.190 nan 0.000 0.436 416 E N 1.206 121.428 120.200 0.036 0.000 2.158 416 E HA 0.567 4.916 4.350 -0.000 0.000 0.271 416 E C -1.840 174.701 176.600 -0.099 0.000 0.911 416 E CA -0.888 55.500 56.400 -0.020 0.000 0.767 416 E CB 1.961 31.660 29.700 -0.001 0.000 1.120 416 E HN 0.757 nan 8.360 nan 0.000 0.405 417 L N 4.996 126.182 121.223 -0.061 0.000 2.280 417 L HA 0.410 4.750 4.340 -0.000 0.000 0.287 417 L C -0.931 175.949 176.870 0.017 0.000 1.023 417 L CA -0.180 54.654 54.840 -0.009 0.000 0.819 417 L CB 1.014 43.090 42.059 0.029 0.000 1.212 417 L HN 0.411 nan 8.230 nan 0.000 0.420 418 K N 4.840 125.225 120.400 -0.025 0.000 2.244 418 K HA 0.496 4.816 4.320 -0.000 0.000 0.260 418 K C -0.719 175.908 176.600 0.045 0.000 0.951 418 K CA -0.788 55.480 56.287 -0.031 0.000 0.826 418 K CB 1.175 33.569 32.500 -0.176 0.000 1.108 418 K HN 0.664 nan 8.250 nan 0.000 0.433 419 R N 3.098 123.539 120.500 -0.097 0.000 2.221 419 R HA 0.119 4.459 4.340 -0.000 0.000 0.327 419 R C 0.942 177.054 176.300 -0.313 0.000 1.033 419 R CA -0.400 55.408 56.100 -0.487 0.000 0.887 419 R CB 0.796 30.741 30.300 -0.591 0.000 1.057 419 R HN 0.675 nan 8.270 nan 0.000 0.455 420 R N 2.403 122.709 120.500 -0.324 0.000 2.092 420 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 420 R C 1.711 177.916 176.300 -0.159 0.000 1.119 420 R CA 2.399 58.398 56.100 -0.169 0.000 0.970 420 R CB -0.295 29.938 30.300 -0.112 0.000 0.864 420 R HN 0.778 nan 8.270 nan 0.000 0.440 421 S N 0.120 115.694 115.700 -0.210 0.000 2.359 421 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 421 S C 1.156 175.684 174.600 -0.121 0.000 1.035 421 S CA 1.421 59.528 58.200 -0.154 0.000 1.018 421 S CB -0.346 62.757 63.200 -0.162 0.000 0.876 421 S HN 0.645 nan 8.310 nan 0.000 0.448 422 D N -1.245 119.080 120.400 -0.125 0.000 2.500 422 D HA 0.308 4.948 4.640 -0.000 0.000 0.217 422 D C 1.309 177.564 176.300 -0.076 0.000 1.159 422 D CA 0.435 54.382 54.000 -0.087 0.000 0.828 422 D CB -0.411 40.346 40.800 -0.072 0.000 1.039 422 D HN 0.654 nan 8.370 nan 0.000 0.512 423 G N 0.376 109.123 108.800 -0.089 0.000 2.155 423 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.257 423 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.257 423 G C 0.602 175.469 174.900 -0.055 0.000 0.983 423 G CA 0.163 45.222 45.100 -0.069 0.000 0.676 423 G HN 0.893 nan 8.290 nan 0.000 0.528 424 A N 0.101 122.890 122.820 -0.052 0.000 2.548 424 A HA 0.580 4.900 4.320 -0.000 0.000 0.247 424 A C 0.888 178.470 177.584 -0.002 0.000 1.067 424 A CA 0.686 52.711 52.037 -0.019 0.000 0.757 424 A CB 0.143 19.142 19.000 -0.003 0.000 0.996 424 A HN 0.640 nan 8.150 nan 0.000 0.504 425 R N 1.277 121.777 120.500 0.001 0.000 2.778 425 R HA 0.704 5.044 4.340 -0.000 0.000 0.277 425 R C -0.720 175.589 176.300 0.015 0.000 0.977 425 R CA -0.643 55.454 56.100 -0.005 0.000 0.950 425 R CB 1.970 32.254 30.300 -0.027 0.000 1.165 425 R HN 0.836 nan 8.270 nan 0.000 0.474 426 E N 1.377 121.584 120.200 0.012 0.000 2.313 426 E HA 0.157 4.507 4.350 -0.000 0.000 0.280 426 E C -1.385 175.217 176.600 0.004 0.000 0.898 426 E CA -0.560 55.849 56.400 0.016 0.000 0.803 426 E CB 1.227 30.947 29.700 0.033 0.000 1.286 426 E HN 0.449 nan 8.360 nan 0.000 0.401 427 N N 4.348 123.051 118.700 0.006 0.000 2.430 427 N HA 0.364 5.104 4.740 -0.000 0.000 0.265 427 N C -0.694 174.818 175.510 0.003 0.000 1.100 427 N CA 0.027 53.082 53.050 0.008 0.000 0.961 427 N CB 0.933 39.429 38.487 0.014 0.000 1.075 427 N HN 0.414 nan 8.380 nan 0.000 0.478 428 L N -0.954 120.268 121.223 -0.001 0.000 2.540 428 L HA 0.771 5.111 4.340 -0.000 0.000 0.256 428 L C -0.191 176.674 176.870 -0.008 0.000 1.001 428 L CA -1.230 53.605 54.840 -0.007 0.000 0.843 428 L CB 1.020 43.069 42.059 -0.017 0.000 1.436 428 L HN 0.347 nan 8.230 nan 0.000 0.410 429 A N 1.123 123.937 122.820 -0.010 0.000 2.587 429 A HA 0.206 4.525 4.320 -0.000 0.000 0.233 429 A C 1.044 178.619 177.584 -0.015 0.000 1.049 429 A CA 0.397 52.428 52.037 -0.010 0.000 0.754 429 A CB -0.025 18.968 19.000 -0.012 0.000 0.977 429 A HN 1.041 nan 8.150 nan 0.000 0.509 430 L N 2.751 123.967 121.223 -0.012 0.000 2.079 430 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 430 L C 2.497 179.353 176.870 -0.023 0.000 1.081 430 L CA 2.863 57.694 54.840 -0.015 0.000 0.752 430 L CB -0.942 41.111 42.059 -0.011 0.000 0.896 430 L HN 0.791 nan 8.230 nan 0.000 0.433 431 A N -0.848 121.959 122.820 -0.022 0.000 1.872 431 A HA -0.158 4.162 4.320 -0.000 0.000 0.214 431 A C 1.831 179.395 177.584 -0.033 0.000 1.187 431 A CA 1.539 53.560 52.037 -0.026 0.000 0.614 431 A CB -0.750 18.238 19.000 -0.021 0.000 0.826 431 A HN 0.509 nan 8.150 nan 0.000 0.442 432 D N -0.370 120.010 120.400 -0.032 0.000 2.378 432 D HA -0.055 4.585 4.640 -0.000 0.000 0.222 432 D C 1.657 177.923 176.300 -0.056 0.000 0.980 432 D CA 0.784 54.760 54.000 -0.040 0.000 0.907 432 D CB -0.219 40.560 40.800 -0.034 0.000 0.899 432 D HN 0.223 nan 8.370 nan 0.000 0.527 433 V N 0.052 119.932 119.914 -0.057 0.000 2.407 433 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 433 V C 2.253 178.287 176.094 -0.100 0.000 1.041 433 V CA 0.958 63.212 62.300 -0.077 0.000 1.040 433 V CB 0.025 31.812 31.823 -0.059 0.000 0.671 433 V HN 0.013 nan 8.190 nan 0.000 0.455 434 V N 0.838 120.704 119.914 -0.080 0.000 2.287 434 V HA -0.249 3.870 4.120 -0.000 0.000 0.248 434 V C 2.835 178.874 176.094 -0.093 0.000 1.053 434 V CA 2.197 64.447 62.300 -0.084 0.000 1.027 434 V CB -1.398 30.386 31.823 -0.064 0.000 0.646 434 V HN 0.619 nan 8.190 nan 0.000 0.447 435 A N -0.231 122.543 122.820 -0.078 0.000 1.978 435 A HA -0.288 4.032 4.320 -0.000 0.000 0.220 435 A C 2.386 179.914 177.584 -0.093 0.000 1.170 435 A CA 2.216 54.210 52.037 -0.073 0.000 0.636 435 A CB -0.594 18.373 19.000 -0.055 0.000 0.810 435 A HN 0.513 nan 8.150 nan 0.000 0.448 436 R N -0.752 119.675 120.500 -0.121 0.000 2.115 436 R HA 0.107 4.447 4.340 -0.000 0.000 0.226 436 R C 1.521 177.680 176.300 -0.235 0.000 1.100 436 R CA 1.000 57.004 56.100 -0.160 0.000 0.980 436 R CB -0.209 29.987 30.300 -0.174 0.000 0.875 436 R HN 0.527 nan 8.270 nan 0.000 0.445 437 L N -0.154 120.916 121.223 -0.255 0.000 2.529 437 L HA 0.135 4.475 4.340 -0.000 0.000 0.223 437 L C 0.796 177.561 176.870 -0.175 0.000 1.113 437 L CA 0.243 54.896 54.840 -0.311 0.000 0.861 437 L CB 0.327 42.186 42.059 -0.332 0.000 1.012 437 L HN 0.233 nan 8.230 nan 0.000 0.461 438 T N 0.000 114.481 114.554 -0.121 0.000 3.816 438 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 438 T CA 0.000 62.055 62.100 -0.075 0.000 1.349 438 T CB 0.000 68.831 68.868 -0.062 0.000 0.612 438 T HN 0.000 nan 8.240 nan 0.000 0.658